SCHEMBL458854

SCHEMBL458854

C=CC[N]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
SCHEMBL6677652 0.76
SCHEMBL11800030 0.72
SCHEMBL22104 0.67
SCHEMBL1360009 0.67
SCHEMBL2839859 0.67
SCHEMBL2839857 0.67
Hydrochloric Acid SCHEMBL6062589 0.67
Hydrochloric Acid SCHEMBL6062578 0.67 ALDH1A1 (0.37)
Hydrogen Sulfide SCHEMBL6714329 0.64
SCHEMBL3798098 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018163-A1 NEW THIAZOLOPYRIMIDINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2024-01-18 US claimed
EP-4233865-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF SKIN CANCERS NFlection Therapeutics, Inc. (US) 2023-08-30 EP claimed
EP-4233834-A2 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFlection Therapeutics, Inc. (US) 2023-08-30 EP claimed
WO-2023105303-A1 COMPOUNDS FOR THE TREATMENT OF CANCER KASHIV BIOSCIENCES, LLC (US) 2023-06-15 WO claimed
US-11572344-B2 Cyanoaryl-aniline compounds for treatment of dermal disorders NFLECTION THERAPEUTICS, INC. (US) 2023-02-07 US claimed
US-20230013227-A1 ARYL-ANILINE AND HETEROARYL-ANILINE COMPOUNDS FOR TREATMENT OF BIRTHMARKS NFLECTION THERAPEUTICS, INC. 2023-01-19 US claimed
US-11555017-B2 Oxidation base derived from 1-hexyl-4,5-diaminopyrazole, composition containing same and use thereof in oxidation dyeing of keratin fibres L'OREAL (FR) 2023-01-17 US claimed
US-20220204486-A1 THIENYL-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2022-06-30 US claimed
US-20220144819-A1 NAPHTHYRIDINONE-ANILINE COMPOUNDS FOR TREATMENT OF DERMAL DISORDERS NFLECTION THERAPEUTICS, INC. 2022-05-12 US claimed
EP-2967597-B1 MICROSTRUCTURE ARRAY FOR DELIVERY OF ACTIVE AGENTS, METHOD OF MAKING OF THE MICROSTRUCTURE ARRAY AND LIQUID FORMULATION THEREFOR CORIUM INC (US) 2022-05-04 EP claimed
EP-0043917-B1 ESTERS OF N-ACYLATED-N-METHYL-0-PYRAZOL(4)YL-CARBAMIC ACIDS, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS BIOCIDES BAYER AG (DE) 1984-10-24 EP claimed
EP-0010440-B1 PYROMELLITIC DIIMIDES, PROCESSES FOR THEIR PREPARATION, THESE COMPOUNDS IN ORALLY ADMINISTRABLE FORM FOR USE IN INCREASING THE FEED EFFICIENCY OF A RUMINANT ANIMAL AND COMPOSITIONS FOR THIS PURPOSE CONTAINING THEM MERCK & CO. INC. (US) 1983-01-26 EP claimed
EP-0011849-B1 2,4,6-TRIIODO-ISOPHTHALAMIC ACID DERIVATIVES, THEIR PREPARATION AND X-RAY CONTRAST AGENTS BASED ON THESE COMPOUNDS SCHERING AKTIENGESELLSCHAFT (DE) 1982-05-19 EP claimed
US-4310545-A Hypolipidemic and antiatherosclerotic 4-(polyfluoroalkylamino) phenyl compounds AMERICAN CYANAMID COMPANY (US) 1982-01-12 US claimed
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US claimed
US-4233241-A LEUCO INDOANILINE DYES FOR HAIR L'OREAL (FR) 1980-11-11 US claimed
EP-0010440-A1 Pyromellitic diimides, processes for their preparation, these compounds in orally administrable form for use in increasing the feed efficiency of a ruminant animal and compositions for this purpose containing them MERCK & CO. INC. (US) 1980-04-30 EP claimed
US-4157392-A HYPOTENSIVE AGENTS, ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS AND NERVOUS SYSTEM EFFECTS DIAMOND SHAMROCK CORPORATION (US) 1979-06-05 US claimed
US-4008043-A Diphenylamines for dyeing keratinic fibers L'OREAL (FR) 1977-02-15 US claimed
US-3977825-A Indoanilines in keratinic fiber dye cmpositions L'OREAL (FR) 1976-08-31 US claimed