SCHEMBL95644

SCHEMBL95644

CC=C(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
SCHEMBL95643 1.00
SCHEMBL7466580 1.00
Methylglyoxal SCHEMBL2997654 0.74
SCHEMBL10539405 0.71
SCHEMBL10539408 0.71
Bicarbonate SCHEMBL2112775 0.70
Bicarbonate SCHEMBL7683631 0.70 FFAR3 (0.50)
Bicarbonate SCHEMBL29291054 0.70 FFAR3 (0.50)
Acetone SCHEMBL3135052 0.68
Acetone SCHEMBL3466447 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102189627-B Mould release agent and preparation method thereof and application of mould release agent in preparation of polyurethane mould product BI JIANGUANG 2014-06-04 CN claimed
EP-0758332-B1 SUBSTITUTED BENZIMIDAZOLES FOR PEST CONTROL BAYER AG (DE) 1999-07-07 EP claimed
EP-0239812-B1 METHOD FOR PREPARING CURED ORGANOPOLYSILOXANE COMPOSITIONS Toray Silicone Company, Ltd. (JP) 1993-07-07 EP claimed
JP-5202183-A None JP disclosed
CN-118317956-A Bis (hetero) aryl thioether oxadiazines as fungicidal compounds 拜耳公司 2024-07-09 CN disclosed
EP-3480224-B1 ELECTRO-OPTIC POLYMER NAT INST INF & COMM TECH (JP) 2024-06-12 EP disclosed
CN-109415468-B Electro-optical polymers 国立研究开发法人情报通信研究机构 2024-06-07 CN disclosed
US-20240148699-A1 OXAZOLE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-05-09 US disclosed
US-20240140975-A1 ANTIVIRAL APPLICATION OF NUCLEOSIDE ANALOG OR COMBINATION FORMULATION CONTAINING NUCLEOSIDE ANALOG XINJIANG TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2024-05-02 US disclosed
WO-2024084028-A1 PYRIDINE COMPOUNDS FOR COMBATTING DIHYDROOROTATE-DEHYDROGENASE INHIBITOR-RESISTANT PHYTOPATHOGENIC FUNGI BASF SE (DE) 2024-04-25 WO disclosed
EP-4353082-A1 HERBICIDAL COMPOSITIONS Bayer Aktiengesellschaft (DE) 2024-04-17 EP disclosed
EP-0147365-A2 Herbicidal agent CIBA-GEIGY AG (CH) 1985-07-03 EP disclosed
EP-0144283-A1 Herbicidal agents CIBA-GEIGY AG (CH) 1985-06-12 EP disclosed
US-4497943-A GUANIDYL ORGANO SILANE OR POLYSILOXANE SHIN-ETSU CHEMICAL CO., LTD. (JP) 1985-02-05 US disclosed
EP-0122231-A2 Herbicidal agent CIBA-GEIGY AG (CH) 1984-10-17 EP disclosed
US-4406890-A IMMUNOLOGY; POTENTIATION; STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-09-27 US disclosed
EP-0004532-B1 1-ARYLOXY-3-NITRATOALKYLAMINO-2-PROPANOLS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS MERCK PATENT GmbH (DE) 1981-10-14 EP disclosed
US-4288452-A 1-Aryloxy-3-nitratoalkylamino-2-propanols and use as β-receptor blocker MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-09-08 US disclosed
US-4250187-A 4,5-Dichloro-3-organo-1,2-methylenedioxy-benzene arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
EP-0004532-A1 1-Aryloxy-3-nitratoalkylamino-2-propanols, process for their preparation and pharmaceutical compositions MERCK PATENT GmbH (DE) 1979-10-17 EP disclosed