SCHEMBL162813

SCHEMBL162813

Cc1coc(N)n1

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 SCHEMBL4403057 0.97
SCHEMBL3712929 0.72 CCR4 (0.38)
SCHEMBL408183 0.71
Formamide SCHEMBL16742780 0.70 ENPP3 (0.35)
Formamide SCHEMBL21590223 0.69 ENPP3 (0.34)
SCHEMBL17859390 0.69 CYP1A2 (0.34)
Ammonia Solution, Strong SCHEMBL26114352 0.69
SCHEMBL14248634 0.67
SCHEMBL668578 0.67
SCHEMBL14184757 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO claimed
CN-105722830-B Aryl thioethers derivative and aryl sulfoxid es derivative as acaricide and insecticide 拜耳作物科学股份公司 2019-06-04 CN claimed
CN-109688816-A Active compound combinations and method for protecting plant propagation material 拜耳作物科学股份公司 2019-04-26 CN claimed
CN-108658816-A Trifluoroethyl sulfide derivatives as the substitution of the N- aryl amidines of acaricide and insecticide 拜尔农作物科学股份公司 2018-10-16 CN claimed
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP claimed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US claimed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US claimed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 WO claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
EP-1171423-B1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2005-01-12 EP claimed
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 US claimed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 EP claimed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO claimed
US-12617785-B2 Pyrrolo[2,3-b]pyridine-3-carboxamide compositions and methods for ameliorating hearing loss THE ROCKEFELLER UNIVERSITY (US) 2026-05-05 US disclosed
US-20250320201-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS INC (US) 2025-10-16 US disclosed
US-4150143-A N-Substituted-acylamino-oxazoles as antiasthma agents LILLY INDUSTRIES LIMITED (GB) 1979-04-17 US disclosed
US-4137313-A ANTICOAGULANTS, ANTIPHLOGISTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 US disclosed
US-4122183-A ANTIASTHMATIC LILLY INDUSTRIES LIMITED (GB) 1978-10-24 US disclosed