SCHEMBL2524435

SCHEMBL2524435

O=C(O)COC(C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CTH P32929 1/20 0.36
CBS P35520 1/20 0.36
THPO P40225 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MGLL Q99685 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5854913 0.87 SMN1; SMN2 (0.32) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL14556958 0.78 TET2 (0.38)
SCHEMBL20610349 0.76 TSHR (0.33) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL30281304 0.76 TSHR (0.33) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL30281290 0.76 TSHR (0.33) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL11025847 0.72 TSHR (0.31) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL11027378 0.72 TSHR (0.31) TSHRCTHCBSTHPOSMN1; SMN2
SCHEMBL23864923 0.72 TSHR (0.31) TSHR
SCHEMBL2628554 0.70
Bicarbonate SCHEMBL31291057 0.69

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502527-B Synthesis method of sevoflurane 鲁南贝特制药有限公司 2024-06-14 CN disclosed
CN-114502527-A Synthetic method of sevoflurane 鲁南贝特制药有限公司 2022-05-13 CN disclosed
US-9826129-B2 Near-infrared-ray-absorbing composition, near-infrared-ray cut filter using same, manufacturing method therefor, camera module, and manufacturing method therefor FUJIFILM CORPORATION (JP) 2017-11-21 US disclosed
US-9826129-B2 Near-infrared-ray-absorbing composition, near-infrared-ray cut filter using same, manufacturing method therefor, camera module, and manufacturing method therefor FUJIFILM CORPORATION (JP) 2017-11-21 US disclosed
US-20160037034-A1 NEAR-INFRARED-RAY-ABSORBING COMPOSITION, NEAR-INFRARED-RAY CUT FILTER USING SAME, MANUFACTURING METHOD THEREFOR, CAMERA MODULE, AND MANUFACTURING METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-02-04 US disclosed
US-20160037034-A1 NEAR-INFRARED-RAY-ABSORBING COMPOSITION, NEAR-INFRARED-RAY CUT FILTER USING SAME, MANUFACTURING METHOD THEREFOR, CAMERA MODULE, AND MANUFACTURING METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-02-04 US disclosed
EP-2069278-B1 PROCESS FOR THE PREPARATION OF CHLOROMETHYL 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL) ETHYL ETHER CRISTÁLIA PRODUTOS QUÍMICOS FARMACÊUTICOS LTDA (BR) 2016-01-06 EP disclosed
US-8044247-B2 Process for the preparation of fluoromethyl 2,2,2-trifluoro-1-(trifluoromethyl) ethyl ether Cristália Produtos Químicos Farmacêuticos Ltda. (BR) 2011-10-25 US disclosed
US-8039678-B2 Process for the preparation of chloromethyl 2,2,2-trifluoro-1-(trifluoromethyl) ethyl ether CRISTALIA PRODUTOS QUIMICOS FARMACEUTICOS LTDA. (BR) 2011-10-18 US disclosed
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-07-29 US disclosed
EP-2148869-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-02-03 EP disclosed
US-20100004490-A1 PROCESS FOR THE PREPARATION OF CHLOROMETHYL 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL) ETHYL ETHER Cr1stalia Productos Quimicos Farmaceuticos LTDA (BR) 2010-01-07 US disclosed
US-20090247791-A1 PROCESS FOR THE PREPARATION OF FLUOROMETHYL 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL) ETHYL ETHER CRISTÁLIA PRODUTOS QUÍMICOS FARMACÊUTICOS LTDA (BR) 2009-10-01 US disclosed
EP-2069278-A2 PROCESS FOR THE PREPARATION OF CHLOROMETHYL 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL) ETHYL ETHER Cristália Produtos Químicos Farmacêuticos Ltda. (BR) 2009-06-17 EP disclosed
WO-2008130581-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 WO disclosed
WO-2008037039-A2 PROCESS FOR THE PREPARATION OF CHLOROMETHYL 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL) ETHYL ETHER Cristália Produtos Químicos Farmacêuticos Ltda. (BR) 2008-04-03 WO disclosed
EP-1286939-B1 METHOD FOR FLUOROMETHYLATION OF ALCOHOLS VIA HALOGENATIVE DECARBOXYLATION ABBOTT LAB (US) 2006-02-15 EP disclosed
EP-1286939-A1 METHOD FOR FLUOROMETHYLATION OF ALCOHOLS VIA HALOGENATIVE DECARBOXYLATION Abbott Laboratories (US) 2003-03-05 EP disclosed
WO-2001094286-A1 METHOD FOR FLUOROMETHYLATION OF ALCOHOLS VIA HALOGENATIVE DECARBOXYLATION ABBOTT LABORATORIES (US) 2001-12-13 WO disclosed
US-6271422-B1 AN ALCOHOL IS REACTED WITH AN ALPHA-HALOESTER TO FORM AN ALPHA-ALKOXY ACID WHICH IS THEN DECARBOXYLATIVELY HALOGENATED TO FORM A CHLOROMETHYL ETHER. THE CHLOROMETHYL ETHER IS THEN CONVERTED TO THE DESIRED FLUORIDE ABBOTT LABORATORIES 2001-08-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100004490-A1 PROCESS FOR THE PREPARATION OF CHLOROMETHYL 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL) ETHYL ETHER PFDN2, PFAS, CA3 TSHR 1594/4885CTH 37/4885CBS 520/4885
US-20160037034-A1 NEAR-INFRARED-RAY-ABSORBING COMPOSITION, NEAR-INFRARED-RAY CUT FILTER USING SAME, MANUFACTURING METHOD THEREFOR, CAMERA MODULE, AND MANUFACTURING METHOD THEREFOR FAR1, SLC39A11, NOTUM TSHR 3922/4885CTH 415/4885CBS 1846/4885
US-20100190687-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GCGR, GPR65 TSHR 1056/4885CTH 1580/4885CBS 1543/4885
US-20090247791-A1 PROCESS FOR THE PREPARATION OF FLUOROMETHYL 2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL) ETHYL ETHER CA3, PFAS, PFDN2 TSHR 822/4885CTH 206/4885CBS 1340/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.