SCHEMBL557272

SCHEMBL557272

COC(C)(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
SCHEMBL4265993 0.91 ALDH1A1 (0.35)
SCHEMBL3932503 0.87 GAA (0.39)
Pyridine SCHEMBL15456428 0.82 TSHR (0.33)
SCHEMBL20356251 0.80 ALDH1A1 (0.31)
SCHEMBL9129137 0.80 ALDH1A1 (0.35)
SCHEMBL2792859 0.78
SCHEMBL8608351 0.78
SCHEMBL28519711 0.78 GAA (0.38)
SCHEMBL9591047 0.77
SCHEMBL7216625 0.76

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 1293 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4363080-B1 ABSORBENT AQUEOUS COMPOSITION CONTAINING A BASE AND AN AZOLE FOR SEPARATING CARBON DIOXIDE FROM A GASEOUS EFFLUENT IFP ENERGIES NOW (FR) 2025-12-03 EP claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-115003780-B Improved solvents for acetylene fluid storage 普莱克斯技术有限公司 2025-02-25 CN claimed
US-20250008950-A1 BIOCIDE COMPOSITIONS BASF SE (DE) 2025-01-09 US claimed
EP-4440307-A1 BIOCIDE COMPOSITIONS BASF SE (DE) 2024-10-09 EP claimed
US-20240293773-A1 ABSORBENT AQUEOUS COMPOSITION CONTAINING A BASE AND AN AZOLE FOR SEPARATING CARBON DIOXIDE FROM A GASEOUS EFFLUENT IFP Energies Nouvelles (FR) 2024-09-05 US claimed
CN-118338782-A Biocidal compositions 巴斯夫欧洲公司 2024-07-12 CN claimed
EP-4363080-A1 ABSORBENT AQUEOUS COMPOSITION CONTAINING A BASE AND AN AZOLE FOR SEPARATING CARBON DIOXIDE FROM A GASEOUS EFFLUENT IFP Energies nouvelles (FR) 2024-05-08 EP claimed
US-11939451-B2 Solvents for acetylene fluid storage PRAXAIR TECHNOLOGY, INC. (US) 2024-03-26 US claimed
CN-117597185-A Aqueous absorbent composition containing alkali and oxazole for separating carbon dioxide from gaseous effluent IFP 新能源公司 2024-02-23 CN claimed
US-4537855-A PHOTOPOLYMERIZABLE HIGH MOLECULAR WEIGHT COMPOUND HAVING POLYFUCTIONAL ETHYLENICALLY UNSATURATED SIDE CHAIN OR END GROUPS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-08-27 US claimed
US-4501645-A USING ALIPHATIC KETONES BERG LLOYD 1985-02-26 US claimed
US-4454197-A EPOXY ADDUCT OF GLYCIDYL ETHER OF DIHYDRIC PHENOL, AMINOBENZOIC ACID, SOLVENT, AND AMINE WITH PHENOLIC CROSSLINKING AGENT SCHENECTADY CHEMICALS, INC. (US) 1984-06-12 US claimed
US-4433080-A ADDUCT OF GLYCIDYL ETHER OF DIHYDRIC PHENOL, AMINOBENZOIC ACID, AND WATER SOLUBLE AMINE SCHENECTADY CHEMICALS, INC. (US) 1984-02-21 US claimed
US-4423172-A MODIFIED EPOXY RESIN AND UNSATURATED RESIN WITH TERTIARY AMINO GROUPS NIPPON OIL CO., LTD. (JP) 1983-12-27 US claimed
EP-0077221-A1 Water-borne hermetic varnish SCHENECTADY CHEMICALS INC. (US) 1983-04-20 EP claimed
US-4299718-A IN SITU PEROXIDATION OF KETONES IN A KETONE PEROXIDE SOLVENT FORMULATION MONTEDISON S.P.A. (IT) 1981-11-10 US claimed
US-4154708-A ADDUCTS OF UNSATURATED DICARBOXYLIC ACID, DIENE POLYMER, RUBBER NIPPON OIL CO., LTD. (JP) 1979-05-15 US claimed
US-4003856-A Oil-soluble composition for removing iron sulfide and sludge from metal surfaces SHARP THOMAS L 1977-01-18 US claimed
US-3948828-A COLORING POLYESTERS OR POLYAMIDES CIBA-GEIGY CORPORATION (US) 1976-04-06 US claimed