SCHEMBL7976823

SCHEMBL7976823

C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.C1CCCCCCCCCCCCCCCC1.CC(=CC1(C(=O)O)CCCCCCCCCCCCCCCC1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
FFAR3 O14843 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
SCHEMBL9234899 0.78 CYP2C19 (0.31) CYP2C19
SCHEMBL7648537 0.78 CYP2C19 (0.31) CYP2C19
SCHEMBL3292362 0.77 PTGS1 (0.33) CYP2C19FFAR3
SCHEMBL6743660 0.77 CYP2C19 (0.30) CYP2C19
SCHEMBL1334942 0.77 PTGS1 (0.33) CYP2C19FFAR3
SCHEMBL6824088 0.77 CYP2C19 (0.30) CYP2C19
SCHEMBL3291244 0.77 PTGS1 (0.33) CYP2C19FFAR3
SCHEMBL479260 0.77 PTGS1 (0.33) CYP2C19FFAR3
SCHEMBL3288618 0.77 PTGS1 (0.33) CYP2C19FFAR3
SCHEMBL5897818 0.74 PTGS1 (0.34) FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6287746-B1 PHOTOACID GENERATOR NEC CORPORATION (JP) 2001-09-11 US disclosed
US-6030747-A CHEMICALLY AMPLIFIED RESIST CONSISTS OF A PHOTOACID GENERATOR, A CROSSLINKING AGENT ACTIVATED IN PRESENCE OF ACID AND A COPOLYMER OF ACRYLIC OR METHACRYLIC ESTER CONTAINING AN ACID, HYDROXY OR ESTER POLAR GROUP AND A COMPOUND NEC CORPORATION (JP) 2000-02-29 US disclosed