SCHEMBL1706005

SCHEMBL1706005

[CH2]C(C)c1ccco1

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
SCHEMBL80874 0.78
SCHEMBL5058248 0.78 KMT2A (0.44)
SCHEMBL7098541 0.78 TP53 (0.46)
SCHEMBL10975719 0.75
SCHEMBL141900 0.74
SCHEMBL919847 0.74
SCHEMBL402343 0.74
SCHEMBL4088167 0.74
SCHEMBL12779618 0.74 ALOX5 (0.42)
SCHEMBL467448 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1555266-B1 REMEDIES OR PREVENTIVES FOR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP TORAY INDUSTRIES (JP) 2014-05-21 EP claimed
US-7320984-B2 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES, INC. (JP) 2008-01-22 US claimed
US-20060040970-A1 Remedies or preventives for urinary frequency or urinary incontinence and morphinan derivatives having nitrogen-containing heterocyclic group TORAY INDUSTRIES, INC. (JP) 2006-02-23 US claimed
EP-1555266-A1 REMEDIES OR PREVENTIVES FOR URINARY FREQUENCY OR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP TORAY INDUSTRIES, INC. (JP) 2005-07-20 EP claimed
WO-2016004297-A1 NOVEL INHIBITORS OF TRYPANOSOMA BRUCEI METHIONYL T-RNA SYNTHETASE (TB METRS) FOR THE TREATMENT OF AFRICAN TRYPANOSOMIASIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 WO disclosed
US-20150273088-A1 ZAPRINAST ANALOGUES AS GLUTAMINASE INHIBITORS AND METHODS TO PREDICT RESPONSE THERETO WASHINGTON UNIVERSITY (US) 2015-10-01 US disclosed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
WO-2012163959-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-12-06 WO disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP disclosed
WO-2011073276-A1 BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed
WO-2011073269-A1 PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS EVOTEC AG (DE) 2011-06-23 WO disclosed
EP-2091948-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2009-08-26 EP disclosed
WO-1995034553-A1 THIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed
EP-0683776-A1 SUBSTITUTED HETEROARYLALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1995-11-29 EP disclosed
US-5118688-A TETRAHYDROPYRIDOQUINOLONE DERIVATIVES USEFUL AS ANXIOLYTIC AGENTS ICI AMERICAS INC. (US) 1992-06-02 US disclosed
EP-0234776-B1 PROCESS FOR 1,4-DIHYDROPYRIDINE COMPOUNDS MERCK & CO. INC. (US) 1991-09-04 EP disclosed
US-4975435-A Certain 1H-pyrrold[3,4-b]quinolin-1-one-9-amino-2,3-dihydro derivatives useful for treating anxiety ICI AMERICAS INC. (US) 1990-12-04 US disclosed
US-4780538-A REACTING AN AMINOALKENOATE WITH AN AROMATIC ALDEHYDE USING AN TITANAMINE CATALYST MERCK & CO., INC. (US) 1988-10-25 US disclosed
EP-0234776-A2 Process for 1,4-dihydropyridine compounds MERCK & CO. INC. (US) 1987-09-02 EP disclosed
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP disclosed