SCHEMBL3406098

SCHEMBL3406098

COC(C)(O)C(=O)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
SCHEMBL13060098 0.75
SCHEMBL27863100 0.75
SCHEMBL9416833 0.73 ALDH1A1 (0.47)
SCHEMBL31519368 0.73
Ammonia Solution, Strong SCHEMBL15106430 0.73 ALDH1A1 (0.47)
SCHEMBL10361815 0.73
SCHEMBL1966966 0.73 TSHR (0.47)
SCHEMBL6257442 0.73
SCHEMBL9763400 0.73 TSHR (0.40)
SCHEMBL30129720 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882745-B1 Intermediates useful for preparing dispersant-viscosity improvers for lubricating oils LUBRIZOL CORP (US) 2003-05-07 EP claimed
EP-0474112-B1 Process for preparing 5-arylhydantoin KANEGAFUCHI CHEMICAL IND (JP) 1999-03-17 EP claimed
EP-0755380-B1 15-DEOXYSPERGUALIN ANALOGS, THERAPEUTICAL USE THEREOF, AND METHOD FOR PREPARING SAME FOURNIER IND & SANTE (FR) 1998-10-14 EP claimed
JP-4235972-A None JP disclosed
EP-2614134-B1 MICROCAPSULE CONTAINING DETERGENT OR CLEANING AGENT HENKEL AG & CO KGAA (DE) 2017-11-08 EP disclosed
EP-2249959-B1 PRODUCT GIVAUDAN SA (CH) 2016-04-13 EP disclosed
US-8357651-B2 Aminoplast microcapsules containing fragrance GIVAUDAN SA (CH) 2013-01-22 US disclosed
US-8278505-B2 Herbicide resistance genes for resistance to aryloxyalkanoate herbicides DOW AGROSCIENCES, LLC. (US) 2012-10-02 US disclosed
US-20100323938-A1 Product GIVAUDAN SA (CH) 2010-12-23 US disclosed
EP-2249959-A1 PRODUCT Givaudan SA (CH) 2010-11-17 EP disclosed
US-20100251432-A1 Novel Herbicide Resistance Genes DOW AGROSCIENCES LLC (US) 2010-09-30 US disclosed
WO-2009100553-A1 PRODUCT GIVAUDAN SA (CH) 2009-08-20 WO disclosed
CN-1263745-C Aryl fused azapolycyclic compounds PFIZER PROD INC (US) 2006-07-12 CN disclosed
CN-1406227-A aryl fused azapolycyclic compounds PFIZER PROD INC (US) 2003-03-26 CN disclosed
JP-H04235972-A PRODUCTION OF ALLANTOIN CHEM LINZ AG 1992-08-25 JP disclosed
US-4202994-A RASBERRY FLAVOR INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-05-13 US disclosed