SCHEMBL128802

SCHEMBL128802

[C]#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
SCHEMBL5153858 0.72
SCHEMBL2199 0.70
SCHEMBL66883 0.67
SCHEMBL18788393 0.67
SCHEMBL3518963 0.64
SCHEMBL967131 0.64
Water SCHEMBL11587139 0.64
SCHEMBL617335 0.64
SCHEMBL1950819 0.64
SCHEMBL9521593 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507210-B1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2015-04-08 EP claimed
US-8394858-B2 Cyclohexane derivatives and uses thereof NOVARTIS AG (CH) 2013-03-12 US claimed
EP-2507210-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Novartis AG (CH) 2012-10-10 EP claimed
US-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US claimed
US-20110136735-A1 CYCLOHEXANE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-06-09 US claimed
WO-2011067306-A1 CYCLOHEXANE DERIVATIVES AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) NOVARTIS AG (CH) 2011-06-09 WO claimed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 US claimed
US-7408060-B2 Nonsteroidal progesterone receptor modulators SCHERING AG (DE) 2008-08-05 US claimed
EP-1902049-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS Bayer Schering Pharma Aktiengesellschaft (DE) 2008-03-26 EP claimed
EP-1899315-A1 BENZOFURANONE DERIVATIVES AS NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS Schering Aktiengesellschaft (DE) 2008-03-19 EP claimed
US-20070142464-A1 Nonsteroidal progesterone receptor modulators SCHERING AG (DE) 2007-06-21 US claimed
US-20070010514-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-11 US claimed
WO-2006136462-A1 BENZOFURANONE DERIVATIVES AS NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
WO-2006136461-A2 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 WO claimed
EP-4245369-A2 NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF Sage Therapeutics, Inc. (US) 2023-09-20 EP disclosed
US-20230287037-A1 3,3 DISUBSTITUTED 19-NOR PREGNANE COMPOUNDS, COMPOSITIONS, AND USES THEREOF SAGE THERAPEUTICS, INC. 2023-09-14 US disclosed
US-20230218638-A1 NEUROACTIVE COMPOUNDS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-07-13 US disclosed
EP-0514683-A1 Process for the preparation of alkyl-, alkenyl and alkinylchlorides BASF Aktiengesellschaft (DE) 1992-11-25 EP disclosed
US-4829060-A ANTIGLAUCOMA SCHERING AKTIENGESELLSCHAFT (DE) 1989-05-09 US disclosed
EP-0212841-A2 Substituted hydroxybutynyl azoles as plant growth regulators IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-03-04 EP disclosed