SCHEMBL2630682

SCHEMBL2630682

CNCCNC(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
SCHEMBL19836838 0.91
SCHEMBL9965893 0.91
SCHEMBL272858 0.86 TDP1 (0.36)
SCHEMBL6051868 0.84 CYP2C19 (0.36)
SCHEMBL30843185 0.82 TDP1 (0.33)
Hydrochloric Acid SCHEMBL13859290 0.82 ABCC3 (0.36)
SCHEMBL11293486 0.81 EPHX1 (0.46)
SCHEMBL8222606 0.81
SCHEMBL23841891 0.79 EPHX1 (0.50)
SCHEMBL18458888 0.79 EPHX1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019482-A2 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS Aurigene Discovery Technologies Limited (IN) 2016-05-18 EP claimed
WO-2014128669-A2 TRISUBSTITUTED BENZOTRIAZOLE DERIVATIVES AS DIHYDROOROTATE OXYGENASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-08-28 WO claimed
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-11820727-B1 Capsaicinoid prodrug compounds and their use in treating medical conditions CENTREXION THERAPEUTICS CORPORATION (US) 2023-11-21 US disclosed
EP-3621615-B1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2023-11-15 EP disclosed
US-20230321092-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2023-10-12 US disclosed
WO-2023161874-A1 CYTOTOXICITY TARGETING CHIMERAS FOR C-C CHEMOKINE RECEPTOR 2-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023161878-A1 CYTOTOXICITY TARGETING CHIMERAS FOR FOLATE RECEPTOR-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed
WO-2023144379-A1 HIGH-AFFINITY LIGANDS OF FIBROBLAST ACTIVATION PROTEIN FOR TARGETED DELIVERY APPLICATIONS PHILOCHEM AG (CH) 2023-08-03 WO disclosed
WO-2023089052-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR DISEASES OF THE CNS Samsara Therapeutics Inc. (US) 2023-05-25 WO disclosed
EP-1953165-A1 AZA-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-08-06 EP disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
US-7393827-B2 Pharmaceutical compositions and methods for restoring β-cell mass and function DIAKINE THERAPEUTICS, INC. (US) 2008-07-01 US disclosed
US-20080070932-A1 Triazolo&amp;lsqb; 1,5-A&amp;rsqb; Pyrimidines And Pyrazolo&amp;lsqb; 1,5-A&amp;rsqb; Pyrimidines And Methods Of Making And Using The Same BIOGEN IDEC MA INC. 2008-03-20 US disclosed
WO-2008011518-A2 ENCAPSULATION SYSTEM DIAKINE THERAPEUTICS, INC. (US) 2008-01-24 WO disclosed
EP-1795527-A1 CARBAMOYL-SUBSTITUTED SPIRO DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-06-13 EP disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
WO-2007027437-A1 PROCESSES FOR PREPARING MTT ZEOLITES USING NITROGEN-CONTAINING ORGANIC COMPOUNDS CHEVRON U.S.A. INC. (US) 2007-03-08 WO disclosed
US-5977286-A Amine-modified epoxy resin reacted with polyisocyanate VIANOVA RESINS GMBH (DE) 1999-11-02 US disclosed