SCHEMBL628336

SCHEMBL628336

CCC([O])(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
SCHEMBL263435 0.78
SCHEMBL5532955 0.75
SCHEMBL9868078 0.75
SCHEMBL9587651 0.75
SCHEMBL6595865 0.75
SCHEMBL14319121 0.73
SCHEMBL539017 0.73
Amylene Hydrate SCHEMBL756239 0.73
SCHEMBL27407206 0.73
SCHEMBL5460994 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023207949-A1 FUSED RING COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2023-11-02 WO claimed
CN-116947713-A Ring-merging compound and application thereof 中国科学院上海药物研究所 2023-10-27 CN claimed
EP-3191478-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS Novartis AG (CH) 2017-07-19 EP claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
WO-2016038582-A1 COMPOUNDS AND COMPOSITIONS AS RAF KINASE INHIBITORS NOVARTIS AG (CH) 2016-03-17 WO claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
EP-1636219-B1 NOVEL THIAZOLYLMETHYL PYRAZOLES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF IN DYES FOR KERATIN FIBERS WELLA AG (DE) 2006-11-02 EP claimed
US-20060183781-A1 Novel thiazolylmethyl pyrazoles, method for the production thereof, and use thereof in dyes for keratin fibers WELLA AG (DE) 2006-08-17 US claimed
EP-0809626-B1 PRODUCTION OF ENANTIOMERICALLY ENRICHED ORTHO-SUBSTITUTED ALPHA, ALPHA DIAROMATIC METHANOLS NOVARTIS AG (CH) 1999-09-01 EP claimed
EP-0809626-A1 PRODUCTION OF ENANTIOMERICALLY ENRICHED ORTHO-SUBSTITUTED $g(a),$g(a)-DIAROMATIC METHANOLS Novartis AG (CH) 1997-12-03 EP claimed
US-5646330-A REDUCING AN ASYMMETRIC BIAROMATIC KETONE WITH AN ISOPINOCAMPHENYLBORANE REDUCING AGENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US claimed
WO-1996025390-A1 PRODUCTION OF ENANTIOMERICALLY ENRICHED ORTHO-SUBSTITUTED α,α-DIAROMATIC METHANOLS NOVARTIS AG (CH) 1996-08-22 WO claimed
EP-0292761-B1 Pyridoxamine chelating compounds, manganese (II) chelates and their use as NMRI contrast agents NYCOMED SALUTAR INC (US) 1994-02-02 EP claimed
EP-0185079-B1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1988-10-19 EP claimed
EP-0225292-A2 Certain N-substituted butyramide derivatives CIBA-GEIGY AG (CH) 1987-06-10 EP claimed
EP-0078158-B1 NOVEL ALKANE AND ALKENE DERIVATIVES AND THEIR PREPARATION AND USE Farmos Group Ltd. (FI) 1986-09-10 EP claimed
EP-0185079-A1 CIBA GEIGY AG 1986-06-25 EP claimed
WO-1986000066-A1 N-SUBSTITUTED BUTYRAMIDE DERIVATIVES CIBA-GEIGY AG (CH) 1986-01-03 WO claimed