SCHEMBL41853

SCHEMBL41853

CCCN(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
Hydrochloric Acid SCHEMBL8309133 0.97
SCHEMBL19673056 0.84 CA12 (0.35)
SCHEMBL9814035 0.83 TSHR (0.47)
SCHEMBL95945 0.82
SCHEMBL7998784 0.82 ADH1C (0.31)
SCHEMBL271219 0.80
SCHEMBL9660379 0.78 DNM1 (0.52)
SCHEMBL303801 0.78 DNM1 (0.52)
SCHEMBL303288 0.78 DNM1 (0.52)
SCHEMBL11077987 0.78 DNM1 (0.52)

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

Appears in 2084 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023163063-A1 INK COMPOSITION, INK SET, RECORDED PRODUCT HAVING INK COMPOSITION APPLIED ON BASE MATERIAL, RECORDING METHOD, MANUFACTURING METHOD FOR RECORDED PRODUCT, AND INKJET RECORDING DEVICE EQUIPPED WITH ACCOMMODATION CONTAINER FILLED WITH INK COMPOSITION 株式会社DNPファインケミカル 2023-08-31 WO claimed
WO-2023163062-A1 INK SET, RECORD OBTAINED BY APPLYING INK COMPOSITIONS INCLUDED IN INK SET TO SUBSTRATE, RECORDING METHOD, METHOD FOR PRODUCING RECORD, AND INK-JET RECORDING DEVICE INCLUDING MOUNTED CONTAINER FILLED WITH INK COMPOSITIONS 株式会社DNPファインケミカル 2023-08-31 WO claimed
WO-2023163065-A1 INK COMPOSITION, INK SET, RECORDED MATTER HAVING INK COMPOSITION APPLIED ON BASE MATERIAL, RECORDING METHOD, RECORDED MATTER MANUFACTURING METHOD, AND INKJET RECORDING DEVICE EQUIPPED WITH HOUSING CONTAINER FILLED WITH INK COMPOSITION 株式会社DNPファインケミカル 2023-08-31 WO claimed
WO-2023163064-A1 INK COMPOSITION, INK SET, RECORDED MATTER IN WHICH INK COMPOSITION IS APPLIED TO BASE MATERIAL, RECORDING METHOD, METHOD FOR PRODUCING RECORDED MATTER, AND INKJET RECORDING DEVICE EQUIPPED WITH STORAGE CONTAINER FILLED WITH INK COMPOSITION 株式会社DNPファインケミカル 2023-08-31 WO claimed
US-8765780-B2 Alicyclic carboxylic acid derivatives of benzomorphans and related scaffolds, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US claimed
WO-2011014520-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-02-03 WO claimed
US-20030125329-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-07-03 US claimed
US-20030125328-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-07-03 US claimed
US-20030119833-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. 2003-06-26 US claimed
US-20030114454-A1 Substituted polycyclic aryl and heteroaryl tertiary-heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-06-19 US claimed
US-4910212-A Containing 1,2,4-triazole or imidazole ring IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-03-20 US claimed
US-4866086-A PHENYLTRIAZOLYL OLEFINIC AROMATASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-12 US claimed
EP-0173821-B1 SUBSTITUTED 5-AMINO-1-PHENYL PYRAZOLES BAYER AG (DE) 1989-01-18 EP claimed
EP-0299683-A2 Heterocyclic olefinic compounds and their use as aromatase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-01-18 EP claimed
EP-0281283-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-07 EP claimed
US-4740232-A Substituted 5-amino-1-phenylpyrazoles composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-04-26 US claimed
US-4685956-A 1-aryl-5-hydrazino-pyrazoles, compositions containing them, and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1987-08-11 US claimed
EP-0212353-A2 1-Aryl-5-hydrazino-pyrazoles BAYER AG (DE) 1987-03-04 EP claimed
EP-0205021-A2 5-Amino-4-cyano-1-pyridyl pyrazoles BAYER AG (DE) 1986-12-17 EP claimed
EP-0173821-A1 Substituted 5-amino-1-phenyl pyrazoles BAYER AG (DE) 1986-03-12 EP claimed