SCHEMBL1562873

SCHEMBL1562873

CC(=O)OCC#N

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
SCHEMBL7176443 0.80 ALDH1A1 (0.39)
SCHEMBL9192061 0.79 ALDH1A1 (0.56)
SCHEMBL5200650 0.77
SCHEMBL487316 0.77 ALDH1A1 (0.50)
SCHEMBL22558222 0.77 ALDH1A1 (0.38)
SCHEMBL245325 0.75
SCHEMBL208357 0.74
SCHEMBL4442787 0.74
SCHEMBL4442784 0.74
SCHEMBL5619372 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410145-A Preparation method of MRTX849 intermediate 上海泓博智源医药股份有限公司 2023-07-11 CN claimed
CN-115974779-A Preparation method of C14-labeled cyanoacetamide 无锡贝塔医药科技有限公司 2023-04-18 CN claimed
CN-115650922-A Method for preparing 2,4,5-triamino-6-hydroxypyrimidine sulfate through microchannel reaction 南通市常海食品添加剂有限公司 2023-01-31 CN claimed
CN-113563759-B Graphene and nano-silver composite material and preparation method thereof 中国科学院山西煤炭化学研究所 2022-11-25 CN claimed
CN-113563759-A Graphene and nano-silver composite material and preparation method thereof 中国科学院山西煤炭化学研究所 2021-10-29 CN claimed
US-20050123835-A1 Lithium hexafluorophosphate salt, methoxypropionitrile and ethylene carbonate solvents; cobalt lithium oxide cathode, carbon anode; layered separator POLICELL TECHNOLOGIES, INC. 2005-06-09 US claimed
US-5766887-A Synthesis of 9-0-acetyl N-acetylneuraminic acid oligosaccharides THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-16 US claimed
EP-0417555-B1 Pentamethine dyes and derivatives BAYER AG (DE) 1993-11-03 EP claimed
US-5138070-A Laser transfer printing; opticalrecording media BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US claimed
US-5118814-A Pressure sensitive and heat sensitive recording media BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US claimed
EP-0417555-A1 Pentamethine dyes and derivatives BAYER AG (DE) 1991-03-20 EP claimed
EP-3792241-B1 METHOD FOR CONVERTING HYDROXYL GROUP OF ALCOHOL TAKASAGO PERFUMERY CO LTD (JP) 2026-04-22 EP disclosed
US-20260042765-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORP (US) 2026-02-12 US disclosed
US-12415809-B2 Pyrrolotriazine compounds as tam inhibitors INCYTE CORPORATION (US) 2025-09-16 US disclosed
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 CN disclosed
US-4240961-A Synthesis of 2-piperazinones and 1,4-diaza-2-keto-cycloheptanes THE B. F. GOODRICH COMPANY (US) 1980-12-23 US disclosed
US-4205180-A CHEMICAL INTERMEDIATES FOR NOVEL CEPHALOSPORIN COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-27 US disclosed
US-4203899-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-20 US disclosed
US-4123529-A TREATMENT OF ASTHMA LILLY INDUSTRIES LIMITED (GB) 1978-10-31 US disclosed
US-4098888-A THIAZOLYLACETAMIDO CEPHALOSPORIN TYPE COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-07-04 US disclosed