SCHEMBL863411

SCHEMBL863411

C1=CCC([Ti+2]C2=CC=CC2)=C1.C[O-].C[O-]

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9161967 0.92
Fluoride Ion SCHEMBL863575 0.92
Iodide SCHEMBL1674727 0.92
SCHEMBL4576019 0.92
Hydrochloric Acid SCHEMBL184055 0.92
SCHEMBL2809938 0.92
SCHEMBL1450260 0.92
Bromide SCHEMBL863760 0.92
Hydrochloric Acid SCHEMBL3671246 0.89
Hydrochloric Acid SCHEMBL16583677 0.89

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 121 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-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
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
EP-0339986-B1 NOVEL CATALYST FOR HYDROGENATION OF POLYMER AND PROCESS FOR HYDROGENATING POLYMER WITH THE CATALYST JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-12-02 EP 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-0339986-A1 Novel catalyst for hydrogenation of polymer and process for hydrogenating polymer with the catalyst JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-11-02 EP claimed
US-10428162-B2 Hydrogenation catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-10-01 US disclosed
US-9469701-B2 Polyethylene powder ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-10-18 US disclosed
US-20160137760-A1 Polyethylene Powder ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-19 US disclosed
US-20160115254-A1 HYDROGENATION CATALYST AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-04-28 US disclosed
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 disclosed
US-4980421-A Dicyclopentadienyltitanium compounds, lithium compounds and reducing agents containing aluminum, zinc or magnesium; efficiency JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1990-12-25 US disclosed
EP-0358103-A1 Method for the preparation of a polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1990-03-14 EP disclosed
EP-0339986-A1 Novel catalyst for hydrogenation of polymer and process for hydrogenating polymer with the catalyst JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1989-11-02 EP disclosed
US-4501857-A CONJUGATED DIENE POLYMERS USING AN ORGANIC TITANIUM COMPOUND AND LITHIUM HYDROCARBON; CATALYST SELECTIVITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-02-26 US disclosed