SCHEMBL8667356

SCHEMBL8667356

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
ARG2 P78540 1/20 0.36
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TOP1 P11387 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
SCHEMBL8664508 0.88 MAOB (0.41) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL8666881 0.80 MAOB (0.39) MAOBCA1CA2ARG2TOP1
SCHEMBL8666360 0.75 MAOB (0.42) MAOBCA1CA2ARG2TOP1
Tert-Butanol SCHEMBL8960018 0.74 MAOB (0.58) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL462351 0.70 MAOB (0.78) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL628859 0.70 MAOB (0.78) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL8669731 0.69 MAOB (0.39) MAOBCA1CA2ARG2
SCHEMBL30075910 0.68 MAOB (0.74) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL27558493 0.68 MAOB (0.74) MAOBCA1CA2ARG2ALDH1A1
SCHEMBL8666318 0.68 MAOB (0.41) MAOBCA1CA2ARG2TOP1

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