SCHEMBL128564

SCHEMBL128564

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
SCHEMBL2534 0.73
SCHEMBL713747 0.72
SCHEMBL2986761 0.72
SCHEMBL20151 0.70
SCHEMBL10794029 0.70
SCHEMBL3370003 0.67
Hydrogen Sulfide SCHEMBL8388170 0.67
Ethylene SCHEMBL20495559 0.67
Ammonia Solution, Strong SCHEMBL8388090 0.67
Bromide SCHEMBL4158104 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 1692 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362964-A Heat-conducting insulating resin applied to new energy automobile and preparation method thereof 合肥市天马塑胶有限公司 2024-01-09 CN claimed
CN-112126067-B Preparation method and application of liquid silicon carbide ceramic precursor 宁波曙翔新材料股份有限公司 2022-04-05 CN claimed
CN-112126064-B Preparation method of solid silicon carbide ceramic precursor 宁波曙翔新材料股份有限公司 2022-04-05 CN claimed
CN-112094414-B Preparation method of novel liquid silicon carbide ceramic precursor 宁波曙翔新材料股份有限公司 2022-01-07 CN claimed
EP-2921484-B1 OXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP claimed
EP-2921485-B1 ISOXAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2018-07-18 EP claimed
EP-2921495-B1 HETEROARYLPIPERIDINE AND HETEROARYLPIPERAZINE DERIVATIVES AS FUNGICIDES BAYER IP GMBH (DE) 2018-03-28 EP claimed
US-9924721-B2 Malonic ester derivatives of heteroarylpiperidines and -piperazines as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-27 US claimed
EP-3013821-B1 PIPERIDINECARBOXYLIC ACID DERIVATIVES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2018-03-14 EP claimed
CN-104650593-B A kind of silicon composition, preparation method and its use its semiconductor device 弗洛里光电材料(苏州)有限公司 2018-02-23 CN claimed
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 WO claimed
US-20050209226-A1 Neurodegenerative diseases, psychological disorders; e.g. 4-[3-(3a -Cyclopropylmethoxy-8-azabicyclo[3.2.1]oct-8-yl)-2-methylpropyl]-4H-benzo[1.4]oxazin-3-one ACADIA PHARMACEUTICALS INC. 2005-09-22 US claimed
EP-1021388-B1 PHOSPHORYLATION PROCESS AND CATALYST BIONERIS AB (SE) 2003-06-25 EP claimed
US-6479656-B1 Phosphorylation process and catalyst PERSTORP AB (SE) 2002-11-12 US claimed
JP-2001501910-A 2001-02-13 JP claimed
EP-1021388-A1 PHOSPHORYLATION PROCESS AND CATALYST PERSTORP AB (SE) 2000-07-26 EP claimed
WO-1997034853-A1 PHOSPHORYLATION PROCESS AND CATALYST PERSTORP AB (SE) 1997-09-25 WO claimed
US-5426106-A Treatment of neurodegenerative diseases, schizophrenia, convulsions; selective non-competitive antagonists MERCK SHARP & DOHME LIMITED (GB) 1995-06-20 US claimed
US-5420155-A Treatment of nervous system disorders with derivatives of 4-hydroxy-2-(1H)-pyrrolones such as strokes, antiischemic agents or cardiovascular disorders MERCK SHARP & DOHME LTD. (GB) 1995-05-30 US claimed
EP-0340010-A2 Heterocyclic nitromethane derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-02 EP claimed