SCHEMBL896562

SCHEMBL896562

COc1cc(C)n[c]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
SCHEMBL486686 0.85 LMNA (0.39)
SCHEMBL394477 0.76
SCHEMBL3575455 0.74
SCHEMBL6972906 0.74
SCHEMBL3381566 0.74
SCHEMBL3381842 0.70 GAA (0.40)
SCHEMBL10617694 0.70 PKM (0.31)
SCHEMBL10969186 0.68 CYP1A2 (0.36)
SCHEMBL6298021 0.67 ALDH1A1 (0.34)
SCHEMBL8474795 0.65 RECQL (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11528907-B2 Heteroaryl-triazole and heteroaryl-tetrazole compounds as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2022-12-20 US claimed
US-20210386070-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-12-16 US claimed
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US claimed
US-11059828-B2 Disubstituted octahydropyrrolo[3,4-C]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-07-13 US claimed
EP-3784661-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-03-03 EP claimed
CN-112204021-A Novel heteroaryltriazole and heteroaryltetrazole compounds as pesticides 拜耳公司 2021-01-08 CN claimed
US-20200048263-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-02-13 US claimed
EP-3093291-B1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-08 EP claimed
US-20170129901-A1 Disubstituted Octahydropyrrolo[3,4-C]Pyrroles As Orexin Receptor Modulators JANSSEN PHARMACEUTICA NV (BE) 2017-05-11 US claimed
EP-3093291-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2016-11-16 EP claimed
US-20050245547-A1 6-((6,7-Bis(methoxy)-4-quinolinyl)oxy)-N-(3-methylphenyl)-1-benzofuran-3-carboxamide;antiproliferative; -metastasis; -carcinogenic; -tumor; -inflammatory; -arthritic agents;hypotensive agents; myocardium necrosis; rheumatic diseases; tyrosine kinase inhibitors; antiallergens; asthma AMGEN INC. 2005-11-03 US claimed
WO-2005073224-A2 QUINOLINE QUINAZOLINE PYRIDINE AND PYRIMIDINE COUNDS AND THEIR USE IN THE TREATMENT OF INFLAMMATION ANGIOGENESIS AND CANCER AMGEN INC (US) 2005-08-11 WO claimed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 WO claimed
US-6143694-A AIDING RIPENING OF TOBACCO PLANT BY PREHARVEST APPLICATION OF NON-PHYTOTOXIC AMOUNT OF 2-(4,5-DIHYDRO-4-METHYL-4-(1-METHYLETHYL)-5-OXO-1H-IMIDAZOL-2 -YL)ARYLCARBOXYLATE TAYLOR JOHN B (US) 2000-11-07 US claimed
US-4889553-A Herbicides SCHERING AGROCHEMICALS (GB) 1989-12-26 US claimed
EP-0132230-B1 PROCESS FOR THE PREPARATION OF SULFONYL UREA CIBA-GEIGY AG (CH) 1988-10-05 EP claimed
EP-0246749-A2 Triazole herbicides AgrEvo UK Limited (GB) 1987-11-25 EP claimed
US-4656273-A Process for producing sulfonylureas CIBA-GEIGY CORPORATION (US) 1987-04-07 US claimed
EP-0173313-A2 Heteroaryl thioureas BAYER AG (DE) 1986-03-05 EP claimed
EP-0132230-A2 Process for the preparation of sulfonyl urea CIBA-GEIGY AG (CH) 1985-01-23 EP claimed