⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2917954 | 0.86 | — | — | |
| SCHEMBL2249015 | 0.85 | — | — | |
| SCHEMBL3213285 | 0.79 | — | — | |
| SCHEMBL1852894 | 0.77 | — | — | |
| SCHEMBL7703844 | 0.76 | SIGMAR1 (0.33) | — | |
| SCHEMBL500360 | 0.74 | — | — | |
| SCHEMBL2916200 | 0.73 | KCNH2 (0.31) | — | |
| SCHEMBL4887 | 0.73 | CACNA1H (0.38) | — | |
| SCHEMBL2916801 | 0.73 | L3MBTL1 (0.30) | — | |
| SCHEMBL1277021 | 0.72 | — | — |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2896620-A1 | ALKYNYL HETEROAROMATIC RING COMPOUND AND APPLICATION THEREOF | Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) | 2015-07-22 | — | — | EP | claimed |
| US-20150152088-A1 | ALKYNYL HETEROAROMATIC COMPOUND AND USE THEREOF | NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) | 2015-06-04 | — | — | US | claimed |
| EP-0614664-B2 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-08 | — | — | EP | claimed |
| EP-0614664-B1 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1998-09-16 | — | — | EP | claimed |
| US-4971967-A | Quinolinecarboxylic acid derivatives, antibacterial compositions and use | KANEBO LTD (JP) | 1990-11-20 | — | — | US | claimed |
| EP-0387877-A1 | Quinolinecarboxylic acid derivatives and antibacterial agent containing the same | KANEBO LTD. (JP) | 1990-09-19 | — | — | EP | claimed |
| EP-2896620-A1 | ALKYNYL HETEROAROMATIC RING COMPOUND AND APPLICATION THEREOF | Nanjing Sanhome Pharmaceutical Co., Ltd. (CN) | 2015-07-22 | — | — | EP | disclosed |
| US-20150152088-A1 | ALKYNYL HETEROAROMATIC COMPOUND AND USE THEREOF | NANJING SANHOME PHARMACEUTICAL CO., LTD. (CN) | 2015-06-04 | — | — | US | disclosed |
| US-RE41149-E1 | Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-02-23 | — | — | US | disclosed |
| EP-0614664-B2 | Quinolonecarboxylic acid derivatives, their preparation and their use as cell adhesion inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2003-01-08 | — | — | EP | disclosed |
| EP-0900793-B1 | CYCLOALKYLAMINOMETHYLPYRROLIDINE DERIVATIVES | DAIICHI SEIYAKU CO (JP) | 2002-07-24 | — | — | EP | disclosed |
| EP-0823413-B1 | Intermediates for the preparation of benzoheterocyclic compounds | OTSUKA PHARMA CO LTD (JP) | 2002-02-13 | — | — | EP | disclosed |
| EP-0565132-B1 | Benzoheterocyclic compounds | OTSUKA PHARMA CO LTD (JP) | 2000-10-25 | — | — | EP | disclosed |
| EP-0366643-A2 | Novel antimicrobial dithiocarbamoyl quinolones | Norwich Eaton Pharmaceuticals, Inc. (US) | 1990-05-02 | — | — | EP | disclosed |
| EP-0341493-A2 | Optically active pyridonecarboxylic acid derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1989-11-15 | — | — | EP | disclosed |
| US-4864023-A | MICROBIOCIDES, BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-09-05 | — | — | US | disclosed |
| US-4855292-A | ANTIMICROBIAL AGENTS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1989-08-08 | — | — | US | disclosed |
| US-4801584-A | ANTIMICROBIAL | HOFFMANN-LA ROCHE INC. (US) | 1989-01-31 | — | — | US | disclosed |
| EP-0287951-A2 | 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-10-26 | — | — | EP | disclosed |
| EP-0259804-A2 | Pyrido[3,2,1-ij]-1,3,4-benzoxadiazine derivatives, process for their preparation, resulting pharmaceutical preparations and intermediates for use in the process | F. HOFFMANN-LA ROCHE AG (CH) | 1988-03-16 | — | — | EP | disclosed |