SCHEMBL27625529

SCHEMBL27625529

CCc1cccc(CC)c1CC.O=[Cr](=O)(O)O[SiH3]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
TAAR1 Q96RJ0 2/20 0.34
HTR1A P08908 1/20 0.34
NLRP3 Q96P20 1/20 0.32
TP53 P04637 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN5A Q14524 1/20 0.32
DHFR P00374 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31
DAO P14920 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.30
PPARA Q07869 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
SCHEMBL245773 0.78 GABRA1 (0.57) GABRA1GABRB2TAAR1HTR1ATP53
Methane SCHEMBL28776675 0.76 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1ATP53
SCHEMBL31498538 0.76 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1ATP53
Ammonia Solution, Strong SCHEMBL27320869 0.76 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1ATP53
Methylamine SCHEMBL27545014 0.76 GABRA1 (0.55) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL704327 0.76 GABRA1 (0.41) GABRA1GABRB2TAAR1HTR1ANLRP3
Hydrochloric Acid SCHEMBL4018938 0.74 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2
SCHEMBL9000240 0.74 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1ATP53
Chloromethane SCHEMBL27971188 0.74 GABRA1 (0.59) GABRA1GABRB2TAAR1HTR1ATP53
Methylamine SCHEMBL27787743 0.74 GABRA1 (0.52) GABRA1GABRB2TAAR1HTR1AKCNH2

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
CN-100451039-C Chromium-based catalysts in mineral oil for production of polyethylene UNION CARBIDE CHEM PLASTIC (US) 2009-01-14 CN claimed
CN-1768083-A Chromium-based catalysts in mineral oil for production of polyethylene UNION CARBIDE CHEM PLASTIC (US) 2006-05-03 CN claimed
CN-100451039-C Chromium-based catalysts in mineral oil for production of polyethylene UNION CARBIDE CHEM PLASTIC (US) 2009-01-14 CN disclosed
CN-1768083-A Chromium-based catalysts in mineral oil for production of polyethylene UNION CARBIDE CHEM PLASTIC (US) 2006-05-03 CN disclosed