SCHEMBL6995894

SCHEMBL6995894

C[S+]([O-])c1ccc(C2=C(c3cc(F)ccc3F)C(=O)C(C)(C)O2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.33

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
SCHEMBL6999988 0.92 BRAF (0.33) BRAF
SCHEMBL7001152 0.90 BRAF (0.35) BRAF
SCHEMBL7002885 0.88 PTGS2 (0.33)
SCHEMBL6992401 0.88 BRAF (0.37) BRAF
SCHEMBL6997177 0.85 PTGS2 (0.35)
SCHEMBL7001798 0.84 PTGS2 (0.43)
SCHEMBL6995210 0.82 BRAF (0.39) BRAF
SCHEMBL6999608 0.82 BRAF (0.41) BRAF
SCHEMBL6996435 0.82 BRAF (0.35) BRAF
SCHEMBL7000038 0.81 PGR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed