SCHEMBL8664513

SCHEMBL8664513

C(C=CCc1ccccc1)=CCc1ccccc1.CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[Ti+2]C1=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.36
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ARG2 P78540 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
SCHEMBL8669755 0.92 MAOB (0.36) MAOBCA1CA2ARG2
SCHEMBL8668020 0.80 MAOB (0.39) MAOBCA1CA2ARG2
SCHEMBL8669731 0.80 MAOB (0.39) MAOBCA1CA2ARG2
SCHEMBL8668213 0.72 MAOB (0.34) MAOB
SCHEMBL8666362 0.71 MAOB (0.40) MAOB
2-Allylphenol SCHEMBL8678615 0.71 ADRA2A (0.30)
Hydrochloric Acid SCHEMBL4633231 0.71
SCHEMBL8665425 0.68 MAOB (0.41) MAOBCA1CA2ARG2
Tert-Butanol SCHEMBL8960018 0.68 MAOB (0.58) MAOBCA1CA2ARG2
SCHEMBL8667168 0.67

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-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