SCHEMBL4101601

SCHEMBL4101601

CNC(=N)NC(C)C

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
SCHEMBL10092225 0.86
SCHEMBL230050 0.83 CA12 (0.35)
SCHEMBL3058558 0.78 CA12 (0.32)
SCHEMBL15088357 0.77
SCHEMBL11227409 0.77
SCHEMBL564061 0.75
SCHEMBL15088349 0.75
SCHEMBL20865914 0.75
SCHEMBL21323995 0.73 ALDH1A1 (0.39)
SCHEMBL24152304 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090194124-A1 Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine MALLE GERARD 2009-08-06 US claimed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US claimed
US-20050136017-A1 Cosmetic containing an imine reactive with the cystines of keratin fibers via a beta-elimination reaction to produce dehydroalanine and lead to formation of lanthionine in a medium free of polyhydroxylated alkane; guanidine and/or amidine imines such as dimethylguanidine; noncaustic for use on hair, skin L'OREAL S.A. (FR) 2005-06-23 US claimed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US claimed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP claimed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP claimed
WO-2024092356-A1 UREMIC METABOLITE-ZWITTERIONIC HEMOCOMPATIBLE DIALYSIS MEMBRANES UNIVERSITY OF SASKATCHEWAN (CA) 2024-05-10 WO disclosed
US-20240016953-A1 TARGETED DELIVERY OF NICOTINAMINDE ADENINE DINUCLEOTIDE SALVAGE PATHWAY INHIBITORS SEAGEN INC (US) 2024-01-18 US disclosed
US-11771715-B2 Circular RNA compositions and methods ORNA THERAPEUTICS, INC. (US) 2023-10-03 US disclosed
US-20230227499-A1 PRODRUGS OF MITOCHONDRIA-TARGETING OLIGOPEPTIDES STEALTH BIOTHERAPEUTICS INC. 2023-07-20 US disclosed
US-20230079107-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS CIDARA THERAPEUTICS, INC. 2023-03-16 US disclosed
WO-2023016525-A1 COMPOUND AS ATR KINASE INHIBITOR 苏州爱科百发生物医药技术有限公司 2023-02-16 WO disclosed
WO-2021262710-A1 PRODRUGS OF MITOCHODRIA-TARGETING OLIGOPEPTIDES STEALTH BIOTHERAPEUTICS CORP. (KY) 2021-12-30 WO disclosed
EP-0051787-B1 AMIDINES AND AMIDINE/ISOCYANATE ADDUCTS, METHODS OF PREPARING THEM AND THEIR USE AS CATALYSTS IN CURING EPOXY RESINS BAYER AG (DE) 1984-12-19 EP disclosed
US-4455425-A EPOXY RESINS, CURING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 US disclosed
US-4455426-A CATALYST FOR HARDENING EPOXY RESINS BAYER AKTIENGESELLSCHAFT (DE) 1984-06-19 US disclosed
US-4424313-A ORGANO-NITROGEN SALTS BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4424353-A INTERMEDIATES FOR ISOCYANATE ADDUCTS, EPOXY RESIN CURING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
EP-0085913-A1 Reactive polymers containing carboxylic groups, process for their production and their use as curing agents in powder lacquers BAYER AG (DE) 1983-08-17 EP disclosed
EP-0051787-A2 Amidines and amidine/isocyanate adducts, methods of preparing them and their use as catalysts in curing epoxy resins BAYER AG (DE) 1982-05-19 EP disclosed