SCHEMBL4577002

SCHEMBL4577002

C[Ti](Cc1ccccc1)(Cc1ccccc1)(Cc1ccccc1)C1=CC=CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
ALPG P10696 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 1/20 0.32
CALM1 P0DP23 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
SCHEMBL8093934 0.91
SCHEMBL9573678 0.87
Hydrochloric Acid SCHEMBL8380564 0.81
Bromide SCHEMBL8382878 0.81
SCHEMBL7754829 0.80 TP53 (0.31) TP53
SCHEMBL27313105 0.77
SCHEMBL4947103 0.77 ALDH1A1 (0.31) ALPLPOLBALPGALDH1A1
SCHEMBL9019419 0.71
SCHEMBL7930554 0.70 MAPT (0.32)
Dimethylamine SCHEMBL8667274 0.68 MAOB (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448568-A4 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEM PATENTS INC (US) 2008-02-13 EP disclosed
EP-1461152-A1 BULKY BORATE ACTIVATORS ExxonMobil Chemical Patents Inc. (US) 2004-09-29 EP disclosed
EP-1448568-A2 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS ExxonMobil Chemical Patents Inc. (US) 2004-08-25 EP disclosed
WO-2003049856-A1 BULKY BORATE ACTIVATORS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-19 WO disclosed
WO-2003040070-A2 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-05-15 WO disclosed
EP-0505997-B1 Process for producing styrenic polymer and copolymer IDEMITSU KOSAN CO (JP) 1997-05-28 EP disclosed
EP-0609439-B1 PROCESS FOR PRODUCING POLYOLEFIN IDEMITSU PETROCHEMICAL CO (JP) 1996-11-27 EP disclosed
EP-0490269-B1 Graft copolymer and process for producing the same IDEMITSU KOSAN CO (JP) 1996-02-28 EP disclosed
US-5378777-A Styrene monomer substituted with silicon group, transition metal complex catalyst IDEMITSU KOSAN CO., LTD. (JP) 1995-01-03 US disclosed
EP-0572003-A2 Process for producing an ethylenic polymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 EP disclosed
US-5250629-A Graft polymerization of styrene and ethylenically unsaturated monomer using transition metal catalysts, organoaluminum compounds; films, packaging, automobile parts IDEMITSU KOSAN CO., LTD. (JP) 1993-10-05 US disclosed
EP-0505997-A2 Process for producing styrenic polymer and copolymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-09-30 EP disclosed
EP-0490269-A1 Graft copolymer and process for producing the same IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-06-17 EP disclosed