SCHEMBL199643

SCHEMBL199643

C[CH]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
Water SCHEMBL27685610 0.76
SCHEMBL8507918 0.76
SCHEMBL12572575 0.74 ALDH1A1 (0.47)
SCHEMBL18396664 0.74
SCHEMBL18868445 0.74 ALDH1A1 (0.47)
SCHEMBL11509291 0.73
SCHEMBL2619425 0.73
SCHEMBL5605355 0.73
SCHEMBL35619 0.71
SCHEMBL342618 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154983-A1 SOLID FORMS OF AN ANTIVIRAL COMPOUND Gilead Pharmasset LLC (US) 2017-04-19 EP claimed
WO-2015191431-A1 SOLID FORMS OF AN ANTIVIRAL COMPOUND GILEAD PHARMASSET LLC (US) 2015-12-17 WO claimed
CN-101426792-A Pyrazolopyrimidines as therapeutic agents ABBOTT GMBH & CO KG (DE) 2009-05-06 CN claimed
CN-1520298-A Pyrazolopyrimidines as therapeutic agents �����ʩ���عɷݹ�˾ 2004-08-11 CN claimed
EP-0340932-B1 Antiparasitic agents related to the avermectins PFIZER LTD (GB) 1995-01-18 EP claimed
US-4927918-A Antiparasitic agents PFIZER INC. (US) 1990-05-22 US claimed
EP-0340932-A2 Antiparasitic agents related to the avermectins Pfizer Limited (GB) 1989-11-08 EP claimed
CN-115175967-B Ionic liquids for stabilizing viscosity of silicate-based coatings 巴斯夫欧洲公司 2024-06-14 CN disclosed
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
US-20230042328-A1 IONIC LIQUID FOR STABILIZING VISCOSITY OF SILICATE-BASED COATINGS BASF SE (DE) 2023-02-09 US disclosed
CN-115175967-A Ionic liquids for stabilizing viscosity of silicate-based coatings 巴斯夫欧洲公司 2022-10-11 CN disclosed
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 US disclosed
US-11180462-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2021-11-23 US disclosed
EP-0340932-A2 Antiparasitic agents related to the avermectins Pfizer Limited (GB) 1989-11-08 EP disclosed
US-4820713-A Ketoalkanol esters of dihydrolysergic acid useful as 5HT receptor antagonists ELI LILLY AND COMPANY (US) 1989-04-11 US disclosed
US-4772709-A DECYANATION, ESTERIFICATION, DEESTERIFYING IN ALKALI HYDROXIDE AND GLYCOL ELI LILLY AND COMPANY (US) 1988-09-20 US disclosed
EP-0219257-A2 Esters of dihydrolysergic acid ELI LILLY AND COMPANY (US) 1987-04-22 EP disclosed
CN-86106728-A ESTERS OF DIHYDROLYSERGIC ACID 1987-04-01 CN disclosed
US-4249938-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-02-10 US disclosed
EP-0002322-A2 Improved Triester process for the synthesis of oligonucleotides GENENTECH, INC. (US) 1979-06-13 EP disclosed