SCHEMBL2133333

SCHEMBL2133333

C=CCCCCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.39
ABCC4 O15439 1/20 0.36
MAPT P10636 1/20 0.36
TRPA1 O75762 3/20 0.34
OXER1 Q8TDS5 1/20 0.34
LPAR3 Q9UBY5 2/20 0.31
LMNA P02545 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31

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
SCHEMBL31049854 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1
SCHEMBL31049866 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1
SCHEMBL31049894 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1
SCHEMBL31049889 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1
SCHEMBL816258 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1
SCHEMBL31049874 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1
SCHEMBL2044589 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1
SCHEMBL9789294 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1
SCHEMBL20889213 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1
SCHEMBL31049882 0.97 TSHR (0.46) TSHRALDH1A1ABCC4MAPTTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024172034-A1 FLUORINE-CONTAINING SILANE COMPOUND ダイキン工業株式会社 2024-08-22 WO disclosed
US-10991979-B2 Electrolytic solution, battery, battery pack, electronic device, electric vehicle, electrical storage device, and electric power system MURATA MANUFACTURING CO., LTD. (JP) 2021-04-27 US disclosed
US-20200356000-A9 RADIATION-SENSITIVE COMPOSITION AND PATTERN-FORMING METHOD JSR CORPORATION (JP) 2020-11-12 US disclosed
US-20190354010-A1 RADIATION-SENSITIVE COMPOSITION AND PATTERN-FORMING METHOD JSR CORPORATION (JP) 2019-11-21 US disclosed
US-20190310551-A1 RADIATION-SENSITIVE COMPOSITION, PATTERN-FORMING METHOD AND METAL OXIDE JSR CORPORATION (JP) 2019-10-10 US disclosed
US-20190109346-A1 ELECTROLYTIC SOLUTION, BATTERY, BATTERY PACK, ELECTRONIC DEVICE, ELECTRIC VEHICLE, ELECTRICAL STORAGE DEVICE, AND ELECTRIC POWER SYSTEM Sonata Scientific LLC 2019-04-11 US disclosed
WO-2018132288-A1 AZIRIDINE SPINOSYN DERIVATIVES AND METHODS OF MAKING AGRIMETIS, LLC (US) 2018-07-19 WO disclosed
EP-2684870-A1 METHOD FOR PREPARING THIOCARBOXYLIC ACID S-(FLUOROALKYL) ESTER Sumitomo Chemical Company Limited (JP) 2014-01-15 EP disclosed
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 US disclosed
US-20070282115-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Foams, and Foam Stabilizers E. I. DU PONT DE NEMOURS AND COMPANY 2007-12-06 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 (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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 TSHR 254/4885ALDH1A1 41/4885ABCC4 2423/4885
US-20070282115-A1 Production Processes and Systems, Compositions, Surfactants, Monomer Units, Metal Complexes, Phosphate Esters, Glycols, Aqueous Film Foams, and Foam Stabilizers FOS, AFF4, AFF1 TSHR 3514/4885ALDH1A1 1177/4885ABCC4 2463/4885

“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.