SCHEMBL1962382

SCHEMBL1962382

CCC(C#N)CC(=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
Ammonia Solution, Strong SCHEMBL5709315 0.98 TDP1 (0.39)
Potassium Iodide SCHEMBL29038935 0.94 SLC22A6 (0.32)
SCHEMBL5821426 0.85 SLC22A6 (0.43)
Ammonia Solution, Strong SCHEMBL28654999 0.82 TDP1 (0.46)
SCHEMBL1539083 0.82
SCHEMBL3443498 0.82 GPR84 (0.39)
SCHEMBL26073020 0.82 GPR84 (0.39)
SCHEMBL3020409 0.81 CACNA2D1 (0.33)
SCHEMBL3020412 0.81 CACNA2D1 (0.33)
SCHEMBL4389195 0.81 CACNA2D1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699833-B1 OLIGOMERS CONTAINING N-ACETYL GLUCOSAMINE COUNCIL SCIENT IND RES (IN) 2008-09-24 EP claimed
EP-1699833-A1 OLIGOMERS CONTAINING N-ACETYL GLUCOSAMINE Council of Scientific and Industrial Research (IN) 2006-09-13 EP claimed
US-6977285-B2 Oligomers containing N-acetyl glucosamine (NAG) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-12-20 US claimed
US-20050222326-A1 OLIGOMERS CONTAINING N-ACETYL GLUCOSAMINE (NAG) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2005-10-06 US claimed
WO-2005063833-A1 OLIGOMERS CONTAINING N-ACETYL GLUCOSAMINE COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-07-14 WO claimed
CN-1070473-C Process for the preparation of pentenenitriles RHONE POULENC FIBRES (FR) 2001-09-05 CN claimed
US-5834616-A REACTING 2-METHYLGLUTARIMIDE, ETHYLSUCCINIMIDE, AND PRECURSORS THEREOF IN VAPOR PHASE IN THE PRESENCE OF ACID CATALYST RHONE-POULENC FIBER & RESIN INTERMEDIATES (FR) 1998-11-10 US claimed
CN-117624051-A Ionic liquid for eliminating azeotropic point of ethyl acetate and acetonitrile and application thereof 齐鲁工业大学(山东省科学院) 2024-03-01 CN disclosed
CN-115838349-B Preparation method of 3- (7-cyano-5- (2-oxo propyl) indoline-1-yl) propyl benzoate 南京桦冠生物技术有限公司 2023-07-14 CN disclosed
CN-114280201-B Efficient separation method of polyphenol components in dandelion 山东省千佛山医院 2023-06-13 CN disclosed
CN-114280201-A Efficient separation method for polyphenol components in dandelion 山东省千佛山医院 2022-04-05 CN disclosed
CN-114026709-A Polymer composite piezoelectric body, piezoelectric film, piezoelectric speaker, and flexible display screen 富士胶片株式会社 2022-02-08 CN disclosed
US-9708563-B2 Lubricating composition containing an antiwear agent THE LUBRIZOL CORPORATION (US) 2017-07-18 US disclosed
EP-0538827-A2 Process for the separation of the non, mono and bifunctional species in perfluoropolyoxyalkylenes AUSIMONT S.p.A. (IT) 1993-04-28 EP disclosed
EP-0538828-A2 Process for the separation of the non, mono and bifunctional species in perfluoropolyoxyalkylenes AUSIMONT S.p.A. (IT) 1993-04-28 EP disclosed
EP-0527187-A1 HYDROCYANATION OF CONJUGATED 2-ALKENOATES. DU PONT (US) 1993-02-17 EP disclosed
US-5087723-A Using zero valence nickel catalyst and Lewis acid promoters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-02-11 US disclosed
WO-1991017140-A1 HYDROCYANATION OF CONJUGATED 2-ALKENOATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-11-14 WO disclosed
US-4585785-A HYPOTENSIVES, ANTIDEPRESSANTS A. H. ROBINS COMPANY, INC. (US) 1986-04-29 US disclosed
US-4581322-A SULFIDE-CONTAINING AMINO COMPOUNDS FUJI PHOTO FILM CO., LTD. (JP) 1986-04-08 US disclosed