SCHEMBL461534

SCHEMBL461534

NCc1c[nH]nn1

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
SCHEMBL1680526 0.80
SCHEMBL1680615 0.77
SCHEMBL1680480 0.74
SCHEMBL6483604 0.74
SCHEMBL269126 0.74
SCHEMBL29857 0.74
SCHEMBL1680479 0.74
SCHEMBL577440 0.74
SCHEMBL1680475 0.74
SCHEMBL5333184 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 304 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US claimed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 EP claimed
EP-3510404-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF Pharmakea, Inc. (US) 2019-07-17 EP claimed
US-20190192697-A1 CHEMICAL PROBES OF LYSYL OXIDASK-LIKE 2 AND USES THEREOF PHARMAKEA, INC. 2019-06-27 US claimed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 US claimed
WO-2018048928-A1 CHEMICAL PROBES OF LYSYL OXIDASE-LIKE 2 AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO claimed
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 US claimed
CN-104910177-B Aminomethyl triazole-substituted tricyclic fluoroquinolone carboxylic acid derivative and preparation method and application thereof 河南大学 2017-02-22 CN claimed
CN-104817572-B Chiral aminomethyl aminomethyl triazole substituted tricyclic fluoroquinolone carboxylic acid derivative and preparation method and applications thereof 河南大学 2017-02-01 CN claimed
US-9458193-B1 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 US claimed
CN-104910177-A Aminomethyl triazole-substituted tricyclic fluoroquinolone carboxylic acid derivative and preparation method and application thereof UNIV HENAN 2015-09-16 CN claimed
CN-104876909-A Aminomethyltriazole substituted polyfluoroquinolone carboxylic acid derivative as well as preparation method and application of derivative UNIV HENAN 2015-09-02 CN claimed
EP-2900669-A1 NEW BICYCLIC DERIVATIVES F. Hoffmann-La Roche AG (CH) 2015-08-05 EP claimed
CN-104817572-A Chiral aminomethyl aminomethyl triazole substituted tricyclic fluoroquinolone carboxylic acid derivative and preparation method and applications thereof UNIV HENAN 2015-08-05 CN claimed
CN-104803975-A Aminomethyl triazole-substituted difluoroquinolone carboxylic acid type derivative as well as preparation method and application thereof UNIV HENAN 2015-07-29 CN claimed
WO-2015036312-A1 AQUEOUS FORMULATION FOR THE CLEANING OF HARD SURFACES L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2015-03-19 WO claimed
EP-1092788-B1 Corrosion inhibiting compositions BRAD CHEM TECHNOLOGY LTD (GB) 2010-08-11 EP claimed
US-6984340-B1 Corrosion inhibiting formulations BRAD-CHEM TECHNOLOGY LIMTIED (GB) 2006-01-10 US claimed
EP-1092788-A2 Corrosion inhibiting compositions Brad-Chem Technology Ltd. (GB) 2001-04-18 EP claimed
EP-0610155-A1 Stabilized polyamide compositions CIBA-GEIGY AG (CH) 1994-08-10 EP claimed