SCHEMBL4100608

SCHEMBL4100608

CCCCNC(=N)NC

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
SCHEMBL4094766 0.93 EPHX1 (0.48)
SCHEMBL9973238 0.91 EPHX1 (0.52)
SCHEMBL4098965 0.91 EPHX1 (0.52)
SCHEMBL4094668 0.91 EPHX1 (0.52)
SCHEMBL4109571 0.91 EPHX1 (0.52)
SCHEMBL2905605 0.91 EPHX1 (0.52)
SCHEMBL13227081 0.89 EPHX1 (0.39)
SCHEMBL1276675 0.87 EPHX1 (0.48)
SCHEMBL4100814 0.84
SCHEMBL4104968 0.83 TSHR (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
WO-2023005945-A1 CYCLIC PEPTIDE, PREPARATION METHOD THEREFOR AND USE THEREOF 杭州彗搏科技有限公司 2023-02-02 WO disclosed
US-20200316159-A1 SUSTAINED RELEASE COMPOSITIONS OF KAPPA-OPIOID RECEPTOR AGONIST TITAN PHARMACEUTICALS, INC. 2020-10-08 US disclosed
EP-2755690-B1 KISSPEPTIDE-PENTASACCHARIDE CONJUGATES MERCK SHARP & DOHME (NL) 2020-04-01 EP disclosed
WO-2017210668-A1 SUSTAINED RELEASE COMPOSITIONS OF KAPPA-OPIOID RECEPTOR AGONIST JT PHARMACEUTICALS, INC. (US) 2017-12-07 WO disclosed
US-9669038-B1 Heterocyclic compounds and uses thereof GLOBAVIR BIOSCIENCES, INC. (US) 2017-06-06 US disclosed
US-9321749-B1 Heterocyclic compounds and uses thereof GLOBAVIR BIOSCIENCES, INC. (US) 2016-04-26 US disclosed
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-09 US disclosed
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2014-01-16 US disclosed
US-20090139537-A1 HAIR RELAXING COMPOSITION COMPRISING AT LEAST ONE NON-HYDROXIDE IMINE L'OREAL S.A. 2009-06-04 US disclosed
US-20080009504-A1 Antifungal agents SCYNEXIS, INC. 2008-01-10 US disclosed
US-7317101-B2 Antibacterial cephalosporins SANDOZ GMBH (AT) 2008-01-08 US disclosed
US-7317101-B2 Antibacterial cephalosporins SANDOZ GMBH (AT) 2008-01-08 US disclosed
EP-1826200-A2 Oxime derivative, photopolymerisable composition, colour filter and process for producing the same FUJIFILM Corporation (JP) 2007-08-29 EP disclosed
WO-2006110185-A2 ANTIINFECTIVE LIPOPEPTIDES CUBIST PHARMACEUTICALS, INC. (US) 2006-10-19 WO disclosed
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 disclosed
US-20050129645-A1 Hair shaping composition comprising at least one non-hydroxide imine L'OREAL 2005-06-16 US disclosed
EP-1532963-A1 Composition for straightening the hair comprising at least one imine not being an hydroxide L'OREAL (FR) 2005-05-25 EP disclosed
EP-1532960-A1 Hair styling composition containing a non-hydroxide imine L'OREAL (FR) 2005-05-25 EP disclosed