SCHEMBL1884652

SCHEMBL1884652

C=C(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CO

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL1887907 1.00 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL14208681 1.00 TSHR (0.39) TSHRTHRBALDH1A1
SCHEMBL1888838 0.98 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL14208609 0.95 TSHR (0.40) TSHRTHRBALDH1A1
SCHEMBL248332 0.93 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL246497 0.93 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL248056 0.93 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL246347 0.93 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL248380 0.93 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL247163 0.93 TSHR (0.44) TSHRTHRBALDH1A1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170322488-A1 PHOTOSENSITIVE RESIN COMPOSITION, PRODUCTION METHOD FOR RESIN FILM, PRODUCTION METHOD FOR ORGANIC SEMICONDUCTOR ELEMENT, AND FLUORINE-CONTAINING POLYMER ASAHI GLASS COMPANY, LIMITED (JP) 2017-11-09 US disclosed
EP-1510197-B1 Dental coating material IVOCLAR VIVADENT AG (LI) 2016-03-09 EP disclosed
EP-1732499-B1 HARDENING DENTAL MATERIALS FEATURING ADJUSTABLE TRANSLUCENCE IVOCLAR VIVADENT AG (LI) 2014-03-05 EP disclosed
US-7939682-B2 Fluorine-containing adamantane derivative, fluorine-containing adamantane derivative having polymerizable group, and resin composition containing same IDEMITSU KOSAN CO., LTD. (JP) 2011-05-10 US disclosed
US-20090149665-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-06-11 US disclosed
US-20090099326-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM IDEMITSU KOSAN CO., LTD. (JP) 2009-04-16 US disclosed
EP-2014639-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM Idemitsu Kosan Co., Ltd. (JP) 2009-01-14 EP disclosed
US-20080319104-A1 Hardening Dental Materials Featuring Adjustable Translucence IVOCLAR VIVADENT AG (LI) 2008-12-25 US disclosed
EP-1732499-A1 HARDENING DENTAL MATERIALS FEATURING ADJUSTABLE TRANSLUCENCE Ivoclar Vivadent AG (LI) 2006-12-20 EP disclosed
WO-2005097043-A1 HARDENING DENTAL MATERIALS FEATURING ADJUSTABLE TRANSLUCENCE IVOCLAR VIVADENT AG (DE) 2005-10-20 WO disclosed
EP-1510197-A1 Dental coating material Firma Ivoclar Vivadent AG (LI) 2005-03-02 EP 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 (2 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-20090099326-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM ADGRF1, RFT1, AFF1 TSHR 958/4885THRB 2864/4885ALDH1A1 282/4885
US-20090149665-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, AND RESIN COMPOSITION CONTAINING SAME TAS1R1, ADORA1, TAS2R1 TSHR 1786/4885THRB 2526/4885ALDH1A1 276/4885

“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.