SCHEMBL872964

SCHEMBL872964

CC1=CCC(C(C=O)CO)C=C1

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
SCHEMBL874205 0.83
SCHEMBL30307777 0.76
SCHEMBL872868 0.73
Alpha-Phellandrene SCHEMBL8855951 0.73
SCHEMBL9070596 0.70
Alpha-Phellandrene SCHEMBL159518 0.69 USP2 (0.32)
Alpha-Phellandrene SCHEMBL22497679 0.69 USP2 (0.32)
Alpha-Phellandrene SCHEMBL159519 0.69 USP2 (0.32)
SCHEMBL21611272 0.66
SCHEMBL29350001 0.65 PTPN1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9358191-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-06-07 US disclosed
CN-103732060-B Antimicrobial compositions TAKASAGO INTERNATIONAL CORP. (JP) 2016-02-17 CN disclosed
US-20150266847-A1 MACROCYCLIC TRIENE LACTONES HAVING UNCONJUGATED TRIENE STRUCTURE, ITS PRODUCTION METHOD AND ITS SYNTHETIC INTERMEDIATE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-09-24 US disclosed
US-9085545-B2 Macrocyclic triene lactones having unconjugated triene structure, its production method and its synthetic intermediate TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-07-21 US disclosed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
US-20140271522-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-09-18 US disclosed
US-8778320-B2 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-15 US disclosed
US-20140163099-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-06-12 US disclosed
EP-2725900-A1 ANTIMICROBIAL COMPOSITION Takasago International Corporation (JP) 2014-05-07 EP disclosed
EP-1561476-B1 DEODORANT COMPOSITION TAKASAGO PERFUMERY CO LTD (JP) 2014-02-12 EP disclosed
US-20130005807-A1 ANTIMICROBIAL COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-01-03 US disclosed
WO-2012039516-A1 DEODORANT COMPOSITION FOR SULFIDES TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-03-29 WO disclosed
US-7964637-B2 Process for producing optically active theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-06-21 US disclosed
US-20090270516-A1 Process for Producing Optically Active Theaspirane TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-29 US disclosed
US-20090087401-A1 DEODORANT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-04-02 US disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
EP-1827370-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR Showa Denko K.K. (JP) 2007-09-05 EP disclosed
US-20060165622-A1 Deodorant composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-27 US disclosed
WO-2006068276-A1 HAIR PROCESSING AGENT AND METHOD FOR PERMANENT WAVING HAIR SHOWA DENKO K.K. (JP) 2006-06-29 WO disclosed
EP-1561476-A1 DEODORANT COMPOSITION Takasago International Corporation (JP) 2005-08-10 EP disclosed