SCHEMBL174503

SCHEMBL174503

C=CC/C(C#N)=C(/C)C(=O)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
SCHEMBL525227 0.74 ALDH1A1 (0.35)
SCHEMBL2580161 0.74 ALDH1A1 (0.35)
SCHEMBL723355 0.72
SCHEMBL362181 0.72 ALDH1A1 (0.35)
SCHEMBL8944182 0.72 ALDH1A1 (0.35)
SCHEMBL1244050 0.72 ALDH1A1 (0.35)
SCHEMBL35839 0.72 ALDH1A1 (0.35)
SCHEMBL517190 0.72 ALDH1A1 (0.35)
SCHEMBL3683540 0.72 ALDH1A1 (0.35)
SCHEMBL8646193 0.71 TDP1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3090017-B1 HYDROGENATED NITRILE RUBBERS CONTAINING PHENOL ARLANXEO DEUTSCHLAND GMBH (DE) 2020-07-15 EP disclosed
EP-3387931-B1 VULCANIZABLE COMPOSITION COMPRISING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2020-07-15 EP disclosed
EP-3090001-B1 HYDROGENATED NITRILE RUBBER CONTAINING PHOSPHINE OR DIPHOSPHANE SULFIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2019-10-09 EP disclosed
EP-3090000-B1 HYDROGENATED NITRILE RUBBER CONTAINING PHOSPHINE OR DIPHOSPHANE OXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2019-10-02 EP disclosed
EP-3090002-B1 HYDROGENATED NITRILE RUBBER CONTAINING PHOSPHINE OR DIPHOSPHANE OXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2019-10-02 EP disclosed
WO-2018188966-A1 VULCANIZABLE COMPOSITION CONTAINING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2018-10-18 WO disclosed
EP-3387931-A1 VULCANIZABLE COMPOSITION COMPRISING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO Deutschland GmbH (DE) 2018-10-17 EP disclosed
EP-2658908-B1 VULCANISABLE COMPOUNDS BASED ON NITRILE RUBBERS CONTAINING EPOXY GROUPS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-09-19 EP disclosed
EP-2766418-B1 VULCANISABLE COMPOUNDS ON THE BASIS OF NITRILE RUBBERS CONTAINING EPOXY GROUPS ARLANXEO DEUTSCHLAND GMBH (DE) 2018-03-07 EP disclosed
EP-3289038-A1 A ONE-PART CURABLE ADHESIVE COMPOSITIONAND THE USE THEREOF Henkel AG & Co. KGaA (DE) 2018-03-07 EP disclosed
US-20110253679-A1 HIGH-CURRENT-DENSITY GAS-SHIELDED ARC WELDING KABUSHIKI KAISHA KOBE SEIKO SHO (KOBE STEEL, LTD.) (JP) 2011-10-20 US disclosed
US-8038675-B2 Apparatus for arrhythmia treatment based on spectral mapping during sinus rhythm ST. JUDE MEDICAL, ATRIAL FIBRILLATION DIVISION, INC. (US) 2011-10-18 US disclosed
EP-2325237-A1 Stable fine-particle suspensions of functionalised, wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-25 EP disclosed
EP-2325238-A1 Stable fine-particle suspensions of functionalised, wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-25 EP disclosed
EP-2316861-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
EP-2316860-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
WO-2011032832-A1 NITRILE RUBBERS AND PRODUCTION THEREOF IN ORGANIC SOLVENTS LANXESS DEUTSCHLAND GMBH (DE) 2011-03-24 WO disclosed
EP-2298824-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-03-23 EP disclosed
EP-2289987-A1 Vulcanizable blend and its use for reparing rubberbased molded articles LANXESS Deutschland GmbH (DE) 2011-03-02 EP disclosed
EP-2267037-A1 Use of wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2010-12-29 EP disclosed