SCHEMBL7557368

SCHEMBL7557368

N#Cc1c(F)c(F)cc([C]=O)c1F

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.39
KHK P50053 1/20 0.32

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
SCHEMBL7649737 0.85 TRPV4 (0.45) TRPV4KHK
SCHEMBL5338291 0.85 TRPV4 (0.45) TRPV4KHK
SCHEMBL809118 0.79 TRPV4 (0.50) TRPV4KHK
SCHEMBL2138209 0.75 CES2 (0.33)
Acetonitrile SCHEMBL23071362 0.73 TRPV4 (0.44) TRPV4
Cyclopropane SCHEMBL28838233 0.73 TRPV4 (0.44) TRPV4
SCHEMBL7771115 0.72 TRPV4 (0.42) TRPV4KHK
SCHEMBL7557630 0.72 ALDH1A1 (0.38) TRPV4KHK
SCHEMBL7866631 0.71 TRPV4 (0.45) TRPV4KHK
SCHEMBL7557377 0.71 TRPV4 (0.39) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977729-B1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AG (DE) 2002-03-13 EP claimed
EP-0977729-B1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AG (DE) 2002-03-13 EP disclosed
EP-0977729-B1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AG (DE) 2002-03-13 EP disclosed
EP-0977729-A1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AG (DE) 2000-02-09 EP disclosed
EP-0977729-A1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AG (DE) 2000-02-09 EP disclosed
EP-0977729-A1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AG (DE) 2000-02-09 EP disclosed
WO-1998047862-A1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1998-10-29 WO disclosed
WO-1998047862-A1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1998-10-29 WO disclosed
WO-1998047862-A1 3-CYANO-2,4,5-TRIFLUORO-BENZOYL FLUORIDE AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BAYER AKTIENGESELLSCHAFT (DE) 1998-10-29 WO disclosed