SCHEMBL9044685

SCHEMBL9044685

CC(Cc1ncc[nH]1)S(=O)(=O)CCC=C(F)F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.35
FDPS P14324 1/20 0.32
TBXAS1 P24557 2/20 0.31
HTR1A P08908 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
SCHEMBL9045120 0.75 TXN (0.35) TAAR1FDPS
SCHEMBL8463226 0.72 FDPS (0.30) FDPS
SCHEMBL467243 0.67 TAAR1 (0.44) TAAR1FDPSTBXAS1HTR1A
SCHEMBL622385 0.66
SCHEMBL5692374 0.66
SCHEMBL1665687 0.66
SCHEMBL6265549 0.66
SCHEMBL4775871 0.66 ALOX15 (0.45) TAAR1FDPSTBXAS1HTR1A
SCHEMBL233107 0.66
SCHEMBL6953480 0.65 TAAR1 (0.45) TAAR1FDPSTBXAS1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed