SCHEMBL819650

SCHEMBL819650

C1=CCC([Ti]C2=CC=CC2)=C1.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.38
MAOB P27338 3/20 0.38
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 3/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP2A6 P11509 1/20 0.35
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
AOC3 Q16853 1/20 0.34

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
Benzene SCHEMBL9168412 0.83
Biphenyl SCHEMBL820134 0.82 ALDH1A1 (0.39) MAOAMAOBALDH1A1HSD17B10TAAR1
Hydrochloric Acid SCHEMBL27275722 0.80 MAOA (0.34) MAOAMAOBALDH1A1HPGDALOX15
SCHEMBL8382368 0.80 TP53 (0.31)
Chlorobenzene SCHEMBL819538 0.78 TSHR (0.44)
Iodobenzene SCHEMBL6918393 0.78
SCHEMBL4480097 0.78
Biphenyl SCHEMBL27460408 0.78 ALDH1A1 (0.36) ALDH1A1
Bromobenzene SCHEMBL6916259 0.78 ALDH1A1 (0.44) ALDH1A1TDP1
SCHEMBL820172 0.78

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 365 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137525-A1 Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer CHI-MEI CORPORATION 2010-06-03 US claimed
US-20080171653-A1 Catalyst composition for hydrogenation and their use for hydrogenation conjugated diene polymer CHI-MEI CORPORATION 2008-07-17 US claimed
US-6982236-B2 Process to polymerize olefins UNIVATION TECHNOLOGIES, LLC (US) 2006-01-03 US claimed
US-6897273-B2 Catalyst composition, method of polymerization and polymer therefrom UNIVATION TECHNOLOGIES, LLC (US) 2005-05-24 US claimed
EP-1392743-A2 CATALYST COMPOSITION, METHOD OF POLYMERIZATION AND POLYMER THEREFROM Univation Technologies LLC (US) 2004-03-03 EP claimed
US-20040039138-A1 Catalyst preparation method WENZEL TIMOTHY T (US) 2004-02-26 US claimed
US-6656866-B2 Metallocene and non-metallocene, homogeneous catalysts, particularly for use in the economical gas and slurry phase processes; spray dried olefin polymerization catalysts UNIVATION TECHNOLOGIES, LLC 2003-12-02 US claimed
US-20030207762-A9 CATALYST PREPARATION METHOD UNIVATION TECHNOLOGIES, LLC 2003-11-06 US claimed
EP-1358216-A2 START-UP PROCEDURE FOR MULTIPLE CATALYST POLYMERIZATION SYSTEMS Univation Technologies LLC (US) 2003-11-05 EP claimed
US-6620894-B2 Calibration; using coordination catalyst UNIVATION TECHNOLOGIES, LLC 2003-09-16 US claimed
US-6313230-B1 HYDROGENATING CONJUGATED DIENE POLYMERS IN PRESENCE OF HYDROGEN AND A HYDROGENATION CATALYST FORMULATION COMPRISING TITANIUM COMPOUND, SILYL HYDRIDE COMPOUND, POLYSILOXANE, SILAZAN COMPOUND, AND METALLIC COMPOUND INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2001-11-06 US claimed
EP-0434469-B1 Hydrogenation catalyst composition and process for hydrogenating olefinically unsaturated polymer using the same JAPAN SYNTHETIC RUBBER CO LTD (JP) 1995-02-22 EP claimed
EP-0294942-B1 Solid catalyst for polymerizing an olefin MITSUI PETROCHEMICAL IND (JP) 1994-07-13 EP claimed
US-5242986-A Bis/cyclopentadienyl/titanium hydrogenation catalyst SHELL OIL COMPANY (US) 1993-09-07 US claimed
EP-0549063-A2 Selective hydrogenation of conjugated diolefin polymers SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-06-30 EP claimed
US-5206307-A PROCESS FOR SELECTIVE HYDROGENATION OF CONJUGATED DIOLEFIN POLYMERS SHELL OIL COMPANY (US) 1993-04-27 US claimed
US-5173537-A In the presence of bis(cyclopentadienyl) titanium compound SHELL OIL COMPANY (US) 1992-12-22 US claimed
US-5132372-A Process for selective hydrogenation of conjugated diolefin polymers SHELL OIL COMPANY (US) 1992-07-21 US claimed
US-5039755-A Treating diolefin (co)polymers with group 1A compound to yield living polymer, endcapping with hydrogen, then catalytic hydrogenation SHELL OIL COMPANY (US) 1991-08-13 US claimed
EP-0434469-A2 Hydrogenation catalyst composition and process for hydrogenating olefinically unsaturated polymer using the same JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1991-06-26 EP claimed