SCHEMBL749954

SCHEMBL749954

CC(O)CC[C]=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
SCHEMBL746872 0.82
SCHEMBL4937606 0.78 ALDH1A1 (0.39)
SCHEMBL191458 0.78
SCHEMBL28916395 0.77
SCHEMBL3613683 0.73
SCHEMBL712276 0.73
SCHEMBL7505413 0.73
SCHEMBL5214521 0.73
SCHEMBL9021441 0.73
SCHEMBL7297852 0.73

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
CN-107848962-B Urea derivative or pharmacologically acceptable salt thereof 杏林制药株式会社 2021-04-09 CN disclosed
US-10858314-B2 Urea derivative or pharmacologically acceptable salt thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 2020-12-08 US disclosed
EP-3303284-B1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN SEIYAKU KK (JP) 2020-04-08 EP disclosed
US-20180208552-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 US disclosed
EP-3303284-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2018-04-11 EP disclosed
WO-2016189877-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-12-01 WO disclosed
EP-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 US disclosed
CN-100408035-C Use of valsartan or its metabolite to inhibit platelet aggregation NOVARTIS AG (CH) 2008-08-06 CN disclosed
US-6777417-B2 ANTICANCER AGENTS SUGEN, INC. 2004-08-17 US disclosed
EP-1436259-A1 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS Liang, Congxin (US) 2004-07-14 EP disclosed
US-20030119819-A1 3-(4,5,6,7-Tetrahydroindol-2-ylmethylidiene-2-indolinone derivatives as kinase inhibitors SUGEN, INC. 2003-06-26 US disclosed
WO-2003022815-A1 3-(4,5,6,7-TETRAHYDROINDOL-2-YLMETHYLIDIENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2003-03-20 WO disclosed
US-5138029-A Random repeating units of 3-hydroxybutyrate, 3-hydroxyvalerate and 4-hydroxyvalerate, culture product of alcaligenes SHOWA DENKO K.K. (JP) 1992-08-11 US disclosed
EP-0466050-A1 Biodegradable or biocompatible copolymer and process for producing same SHOWA DENKO KABUSHIKI KAISHA (JP) 1992-01-15 EP disclosed
EP-0069497-B1 COPOLYESTERS AND PROCESS FOR THEIR PRODUCTION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-15 EP disclosed
US-4477654-A POLYLACTONE COPOLYMERS WITH REDUCED CRYSTALLIN= ITY FROM THE CULTURE OF MICROORGANISMS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-10-16 US disclosed
EP-0069497-A2 Copolyesters and process for their production IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-01-12 EP disclosed
US-3932393-A 3-Methylenecephalosporins and process for production thereof ELI LILLY AND COMPANY (US) 1976-01-13 US disclosed