SCHEMBL12475394

SCHEMBL12475394

CC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Hf]([SiH3])C1C(C)=Cc2c(C(C)C)cc(C(C)C)cc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
FABP4 P15090 3/20 0.32
FABP3 P05413 2/20 0.32
FABP5 Q01469 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
SCHEMBL28411939 0.86 GABRA1 (0.33) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL12475396 0.84 GABRA1 (0.33) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL5188314 0.83 GABRA1 (0.32) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL1120745 0.82 GABRA1 (0.31) GABRA1GABRB2FABP4FABP3
Hydrochloric Acid SCHEMBL2233916 0.81 GABRA1 (0.30) GABRA1GABRB2
Hydrochloric Acid SCHEMBL7211438 0.81 FABP4 (0.31) GABRA1GABRB2FABP4
SCHEMBL8506274 0.79 GABRA1 (0.35) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL28407141 0.76 GABRA1 (0.35) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL5860017 0.76 GABRA1 (0.35) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL27506824 0.76 GABRA1 (0.35) GABRA1GABRB2FABP4FABP3FABP5

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
EP-2673315-A1 POLYETHYLENE FILMS Equistar Chemicals, LP (US) 2013-12-18 EP disclosed
WO-2012109246-A1 POLYETHYLENE FILMS EQUISTAR CHEMICALS, LP (US) 2012-08-16 WO disclosed