⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2675757 | 0.85 | ALDH1A1 (0.49) | — | |
| SCHEMBL12932633 | 0.84 | — | — | |
| SCHEMBL537180 | 0.80 | — | — | |
| SCHEMBL537639 | 0.79 | IKBKB (0.36) | — | |
| SCHEMBL537638 | 0.78 | IKBKB (0.34) | — | |
| SCHEMBL10314183 | 0.77 | — | — | |
| SCHEMBL537747 | 0.77 | IKBKB (0.33) | — | |
| SCHEMBL537076 | 0.73 | KCNH2 (0.39) | — | |
| SCHEMBL2676038 | 0.73 | KCNH2 (0.43) | — | |
| SCHEMBL2674468 | 0.73 | KCNH2 (0.43) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3223289-A | — | — | None | — | — | JP | disclosed |
| EP-2414368-B1 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS INC (US) | 2013-11-27 | — | — | EP | disclosed |
| US-8173636-B2 | Hydroxylthienoquinolones and related compounds as anti-infective agents | ACHILLION PHARMACEUTICALS, INC. (US) | 2012-05-08 | — | — | US | disclosed |
| EP-2414368-A2 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | Achillion Pharmaceuticals, Inc. (US) | 2012-02-08 | — | — | EP | disclosed |
| US-20100256112-A1 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | US | disclosed |
| WO-2010115184-A2 | HYDROXYTHIENOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS | ACHILLION PHARMACEUTICALS, INC. (US) | 2010-10-07 | — | — | WO | disclosed |
| US-6018054-A | INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-01-25 | — | — | US | disclosed |
| US-5739339-A | BACTERICIDES, ANTIPROTOZOA AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-04-14 | — | — | US | disclosed |
| US-5556979-A | ANIMAL FEEDS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-09-17 | — | — | US | disclosed |
| EP-0588166-B1 | Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives | BAYER AG (DE) | 1996-06-05 | — | — | EP | disclosed |
| EP-0588166-A2 | Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives | BAYER AG (DE) | 1994-03-23 | — | — | EP | disclosed |
| JP-H03223289-A | THIENOQUINOLINE DERIVATIVE, THIENONAPHTHYRIDINE DERIVATIVE AND SALT THEREOF | DAINIPPON PHARMACEUT CO LTD | 1991-10-02 | — | — | JP | disclosed |