SCHEMBL5547539

SCHEMBL5547539

C=C(C)C#N.C=CC(=C)C

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 3/20 0.62
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62

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
Butadiene SCHEMBL27568645 0.94 TDP1 (0.61) TDP1ALDH1A1TSHRTP53
SCHEMBL28215697 0.84
Acetonitrile SCHEMBL27520973 0.84
Butadiene SCHEMBL2133137 0.84
Propene SCHEMBL28139792 0.84
Water SCHEMBL4994101 0.83
Water SCHEMBL9717741 0.83 ALDH1A1 (0.91) TDP1ALDH1A1TSHRTP53
SCHEMBL14868 0.83
Water SCHEMBL11786429 0.83
SCHEMBL9859678 0.83 TDP1 (1.00) TDP1ALDH1A1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1250578-C Method for removing catalyst in unsaturated copolymer hydrogenation solution NANDI CHEMICAL INDUSTRY CO LTD (CN) 2006-04-12 CN claimed
US-6084033-A LOW COST, SELECTIVE, GEL-FREE CATALYSTS CONTAINING RHODIUM, RUTHENIUM AND/OR RARE EARTH COMPOUNDS, ALSO ORGANOPHOSPHINE OR ORGANOARSINE COMPOUNDS OR ORGANIC NITROGEN, OXYGEN OR SULFUR COMPOUNDS NANTEX INDUSTRY CO., LTD. (TW) 2000-07-04 US claimed
EP-0455154-B1 Polymer hydrogenation process using ruthenium complexes UNIV WATERLOO (CA) 1995-09-20 EP claimed
EP-0298386-B1 Polymer hydrogenation process UNIV WATERLOO (CA) 1994-10-12 EP claimed
EP-0455154-A1 Polymer hydrogenation process using ruthenium complexes UNIVERSITY OF WATERLOO (CA) 1991-11-06 EP claimed
US-5057581-A Ruthenium carbonyl complexes containing phosphine ligands used as hydrogenation catalysts UNIVERSITY OF WATERLOO (CA) 1991-10-15 US claimed
US-4816525-A RUTHENIUM CARBONYL PHOSPHINE HYDROGENATION CATALYSTS UNIVERSITY OF WATERLOO (CA) 1989-03-28 US claimed
US-4503196-A SELECTIVE, CONJUGATED DIENE COPOLYMER, RHODIUM COMPLEX CATALYST POLYSAR LIMITED (CA) 1985-03-05 US claimed
US-4464515-A DIENE COPOLYMER; RHODIUM HYDRIDE/LIGAND COMPOUND CATALYST, SOLVENT POLYSAR LIMITED (CA) 1984-08-07 US claimed
US-4303569-A Coagulation of latex POLYSAR LIMITED (CA) 1981-12-01 US claimed
WO-2024127878-A1 SIZING AGENT FOR FIBERS AND USE THEREOF 松本油脂製薬株式会社 2024-06-20 WO disclosed
CN-111566132-B Process for producing hydrogenated conjugated diene polymer latex 日本瑞翁株式会社 2023-10-27 CN disclosed
CN-108778502-B Metal-supported catalyst and method for producing hydrogenated conjugated diene polymer 日本瑞翁株式会社 2022-01-04 CN disclosed
CN-107708860-B Catalyst recovery process 日本瑞翁株式会社 2021-05-28 CN disclosed
US-7291680-B1 Metal catalyst and hydrogenation method employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2007-11-06 US disclosed
US-4503196-A SELECTIVE, CONJUGATED DIENE COPOLYMER, RHODIUM COMPLEX CATALYST POLYSAR LIMITED (CA) 1985-03-05 US disclosed
US-4464515-A DIENE COPOLYMER; RHODIUM HYDRIDE/LIGAND COMPOUND CATALYST, SOLVENT POLYSAR LIMITED (CA) 1984-08-07 US disclosed
EP-0111412-A1 Polymer hydrogenation process POLYSAR LIMITED (CA) 1984-06-20 EP disclosed
US-4303569-A Coagulation of latex POLYSAR LIMITED (CA) 1981-12-01 US disclosed
US-4265939-A COAGULATION UNDER TURBULENT CONDITIONS POLYSAR LIMITED (CA) 1981-05-05 US disclosed