SCHEMBL5680199

SCHEMBL5680199

Cc1ncn[nH]1.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 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
SCHEMBL56560 0.65
SCHEMBL5189478 0.65
SCHEMBL5677136 0.64 ALDH1A1 (0.34) ALDH1A1
1,2,4-Triazole SCHEMBL5680177 0.64
SCHEMBL14416966 0.64
Cyanide SCHEMBL726670 0.63
SCHEMBL5495287 0.62
Ammonia Solution, Strong SCHEMBL22116164 0.62
Water SCHEMBL7063107 0.62
SCHEMBL1828520 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228109-B1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS DOW GLOBAL TECHNOLOGIES INC (US) 2006-02-01 EP claimed
US-6716786-B1 LEWIS ACIDS AND BASES THE DOW CHEMICAL COMPANY 2004-04-06 US claimed
EP-1228109-A1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2002-08-07 EP claimed
WO-2001023442-A1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2001-04-05 WO claimed
EP-1228109-B1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS DOW GLOBAL TECHNOLOGIES INC (US) 2006-02-01 EP disclosed
EP-1228109-A1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2002-08-07 EP disclosed
WO-2001023442-A1 SUPPORTED CATALYST COMPRISING EXPANDED ANIONS THE DOW CHEMICAL COMPANY (US) 2001-04-05 WO disclosed