SCHEMBL7596497

SCHEMBL7596497

CC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Hf](C)(C)CC[Hf](C)(C)C1C(C)=Cc2c(C(C)C)cc(C(C)C)cc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
FABP3 P05413 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL797661 0.80
Hexane SCHEMBL8606513 0.79
SCHEMBL4622636 0.75 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4
SCHEMBL7800520 0.74 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4
SCHEMBL8506274 0.73 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4
SCHEMBL27506824 0.73 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4
SCHEMBL28407141 0.73 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4
SCHEMBL5860017 0.73 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4
SCHEMBL5583462 0.73 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4
SCHEMBL8678755 0.73 GABRA1 (0.33) GABRA1GABRB2FABP3FABP4

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-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed