SCHEMBL8666360

SCHEMBL8666360

C(C=CCc1ccccc1)=CCc1ccccc1.CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC=CC=C[Ti+3]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ARG2 P78540 1/20 0.35
SLC6A2 P23975 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
TOP1 P11387 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
PRMT1 Q99873 1/20 0.30
KCNH2 Q12809 2/20 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
SCHEMBL8665817 0.87 MAOB (0.45) MAOBCA1CA2ARG2TOP1
SCHEMBL15466750 0.83 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL15466749 0.83 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL27824749 0.81 MAOB (0.58) MAOBCA1CA2ARG2TOP1
SCHEMBL8666881 0.81 MAOB (0.39) MAOBCA1CA2ARG2TOP1
SCHEMBL8667356 0.75 MAOB (0.39) MAOBCA1CA2ARG2TOP1
Tert-Butanol SCHEMBL8960018 0.74 MAOB (0.58) MAOBCA1CA2ARG2SLC6A2
SCHEMBL628859 0.73 MAOB (0.78) MAOBCA1CA2ARG2TAAR1
SCHEMBL462351 0.73 MAOB (0.78) MAOBCA1CA2ARG2TAAR1
SCHEMBL8669731 0.72 MAOB (0.39) MAOBCA1CA2ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767804-B1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS DOW CHEMICAL CO (US) 1998-12-09 EP disclosed
US-5646084-A OLEFIN POLYMERIZATION USING TITANIUM COMPLEX CATALYST AND ACTIVATING COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-07-08 US disclosed
EP-0767804-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1997-04-16 EP disclosed
US-5543480-A USING GROUP 4 METAL COMPLEXES CONTAINING A DIENE MOIETY THE DOW CHEMICAL COMPANY (US) 1996-08-06 US disclosed
WO-1996000742-A1 POLYMERIZATION PROCESS USING DIENE CONTAINING CATALYSTS THE DOW CHEMICAL COMPANY (US) 1996-01-11 WO disclosed