Methane

Methane

SCHEMBL439621

C.CC(C)(C)C=O

nearest known ligand 0.00

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⚠ 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
SCHEMBL3261673 0.95 TDP1 (0.38)
SCHEMBL2619 0.95
Hydrochloric Acid SCHEMBL3253175 0.90
SCHEMBL28496955 0.90
SCHEMBL28171075 0.90
SCHEMBL4883615 0.90
SCHEMBL28556999 0.90
Ammonia Solution, Strong SCHEMBL18838097 0.90
SCHEMBL11867739 0.90
SCHEMBL28254587 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349534-A1 A NOVEL PROCESS FOR CHIRAL RESOLUTION OF HIGHLY PURE (6R)-6-(DIMETHYLAMINO)-4,4-DIPHENYL-HEPTANONE FROM RACEMIC METHADONE HYDROCHLORIDE HARMAN FINOCHEM LIMITED (IN) 2017-12-07 US claimed
EP-3237373-A1 \"A NOVEL PROCESS FOR CHIRAL RESOLUTION OF HIGHLY PURE (6R)-6-(DIMETHYLAMINO)-4,4-DIPHENYL-3-HEPTANONE FROM RACEMIC METHADONE HYDROCHLORIDE\ Harman Finochem Limited (IN) 2017-11-01 EP claimed
WO-2016103274-A1 \"A NOVEL PROCESS FOR CHIRAL RESOLUTION OF HIGHLY PURE (6R)-6-(DIMETHYLAMINO)-4,4-DIPHENYL-3-HEPTANONE FROM RACEMIC METHADONE HYDROCHLORIDE\ HARMAN FINOCHEM LIMITED (IN) 2016-06-30 WO claimed
US-9062140-B2 Polyacrylic acid (salt) water-absorbent resin, production process thereof, and acrylic acid used in polymerization for production of water-absorbent resin NIPPON SHOKUBAI CO., LTD. (JP) 2015-06-23 US claimed
US-20140206867-A1 Process for Preparing Cyclopentylamine Derivatives and Intermediates Thereof ACTAVIS GROUP PTC EHF (IS) 2014-07-24 US claimed
EP-2721018-A1 IMPROVED PROCESS FOR PREPARING CYCLOPENTYLAMINE DERIVATIVES AND INTERMEDIATES THEREOF Actavis Group Ptc Ehf (IS) 2014-04-23 EP claimed
US-20130317220-A1 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4, 5-d]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF ACTAVIS GROUP PTC EHF (IS) 2013-11-28 US claimed
EP-2655341-A2 NOVEL PROCESSES FOR PREPARING TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF Actavis Group Ptc Ehf (IS) 2013-10-30 EP claimed
EP-1866349-B1 WATER-ABSORBENT RESIN BASED ON POLYACRYLIC ACID OR ITS SALT, PRODUCTION PROCESS THEREOF, AND ACRYLIC ACID USED IN POLYMERIZATION FOR PRODUCTION OF WATER-ABSORBENT RESIN NIPPON CATALYTIC CHEM IND (JP) 2012-12-26 EP claimed
WO-2012172426-A1 IMPROVED PROCESS FOR PREPARING CYCLOPENTYLAMINE DERIVATIVES AND INTERMEDIATES THEREOF ACTAVIS GROUP PTC EHF (IS) 2012-12-20 WO claimed
EP-0551111-A1 Process for purifying acrylic acid to high purity in the production of acrylic acid NIPPON SHOKUBAI CO., LTD. (JP) 1993-07-14 EP claimed
EP-0141775-B1 CONTINUOUS PROCESS FOR THE PRODUCTION OF 1,2-ALKANE DIOLS CIBA-GEIGY AG (CH) 1987-10-28 EP claimed
US-4479021-A ESTERIFICATION, PEROXIDATION OF 1-ALKENE WITH FORMIC ACID, AND HYDROGEN PEROXIDE, THEN SAPONIFICATION CIBA-GEIGY CORPORATION (US) 1984-10-23 US claimed
US-4317752-A POLYURETHANE FOAMS; INSULATION; CONSTRUCTION MATERIALS BLOUNT DAVID H 1982-03-02 US claimed
US-4280006-A Process for the production of polyisocyanate silicate plastics utilizing an alkali metal cellulose silicate condensation product BLOUNT DAVID H 1981-07-21 US claimed
US-4262108-A FIREPROOF CONSTRUCTION MATERIALS, INSULATION BLOUNT DAVID H 1981-04-14 US claimed
US-4238375-A Process for the production of organic halosilicon acid resinous products and their reaction products utilizing phenol compounds BLOUNT DAVID H 1980-12-09 US claimed
US-4198491-A Process for the production of organic halosilicon acid resinous products and their reaction products BLOUNT DAVID H 1980-04-15 US claimed
US-4153764-A Process for the production of polyisocyanate organic silicate solid/cellular solid product BLOUNT DAVID H 1979-05-08 US claimed
US-3981831-A REACTION OF ORGANIC POLYISOCYANATE WITH ALKALI METAL SILICATE OR SILICA SOL BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US claimed