SCHEMBL4862959

SCHEMBL4862959

CCC([C]=O)C#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
SCHEMBL262159 0.81
SCHEMBL650952 0.81
SCHEMBL15766660 0.78
SCHEMBL1019048 0.74
Benzene SCHEMBL28151552 0.73 TSHR (0.32)
SCHEMBL15766965 0.72 TSHR (0.39)
SCHEMBL11396254 0.71 MAPT (0.41)
SCHEMBL3028967 0.71
SCHEMBL9354540 0.71
SCHEMBL3027063 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167449-B1 NEW GANGLIOSIDE DERIVATIVES FIDIA S.p.A. (IT) 1990-11-28 EP claimed
EP-0167449-A2 New ganglioside derivatives FIDIA S.p.A. (IT) 1986-01-08 EP claimed
US-9040516-B2 Uracil derivative and use thereof for medical purposes SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-05-26 US disclosed
US-20140179670-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2014-06-26 US disclosed
EP-2740728-A1 URACIL DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-06-11 EP disclosed
US-7332515-B2 Indole-amid derivatives which possess glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2008-02-19 US disclosed
US-20070123528-A1 INDOLE-AMID DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2007-05-31 US disclosed
US-7166636-B2 Type 2 diabetes, insulin resistance, syndrome X, hyperinsulinemia, or hyperglucagonemia; methyl (S)-5-{1-[(5-chloro-1H-indol-2-ylcarbonyl)amino]-2-phenylethyl}oxazole-4-carboxylate; amidation by reacting the 2-carboxyindole and a 1,2-diphenylethylamine ASTRAZENECA AB (SE) 2007-01-23 US disclosed
US-20050130963-A1 Indole-amid derivatives which possess glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 US disclosed
EP-1492788-A1 INDOLE-AMID DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY AstraZeneca AB (SE) 2005-01-05 EP disclosed
EP-1284267-B1 TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE SANKYO CO (JP) 2004-12-15 EP disclosed
WO-2003074517-A1 INDOLE-AMID DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-12 WO disclosed
EP-1284267-A1 TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE Sankyo Company, Limited (JP) 2003-02-19 EP disclosed
US-6008160-A Substituted 1-amino-3-phenyluracil derivatives, their preparation and their use as herbicides BAYER AKTIENGESELLSCHAFT (DE) 1999-12-28 US disclosed
US-5965738-A Process for producing N-biphenylmethylthiadiazoline derivative or salt thereof and intermediate for producing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1999-10-12 US disclosed
EP-0851861-A1 SUBSTITUTED 1-AMINO-3-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1998-07-08 EP disclosed
US-5654322-A HYPOTENSIVE AGENTS, CEREBRAL APOPLEXY WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0782996-A1 PROCESS FOR PRODUCING N-BIPHENYLMETHYLTHIADIAZOLINE DERIVATIVE OR SALT THEREOF AND INTERMEDIATE FOR PRODUCING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1997-07-09 EP disclosed
WO-1997009319-A1 SUBSTITUTED 1-AMINO-3-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed
EP-0656355-A1 BIPHENYLMETHANE DERIVATIVE AND MEDICINE CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1995-06-07 EP disclosed