⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6991138 | 1.00 | — | — | |
| SCHEMBL24781 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL19066705 | 0.97 | — | — | |
| SCHEMBL565324 | 0.91 | — | — | |
| SCHEMBL23581547 | 0.88 | TRPV1 (0.52) | — | |
| SCHEMBL9806615 | 0.88 | TRPV1 (0.52) | — | |
| SCHEMBL3422580 | 0.88 | TRPV1 (0.52) | — | |
| SCHEMBL9053791 | 0.88 | — | — | |
| SCHEMBL10595123 | 0.88 | TRPV1 (0.52) | — | |
| SCHEMBL7901748 | 0.88 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3057964-A1 | SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS | Eisai R&D Management Co., Ltd. (JP) | 2016-08-24 | — | — | EP | disclosed |
| WO-2015057659-A1 | SELECTIVELY SUBSTITUTED QUINOLINE COMPOUNDS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2015-04-23 | — | — | WO | disclosed |
| EP-1902717-A2 | Vasopressin antagonist and oxytocin antagonist | Otsuka Pharmaceutical Company, Limited (JP) | 2008-03-26 | — | — | EP | disclosed |
| EP-0748310-B1 | DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY | ITALFARMACO SPA (IT) | 1999-06-02 | — | — | EP | disclosed |
| US-5827881-A | ADMINISTERING FOR TREATMENT OF VIRAL DISEASES OR AS ANTIINFLAMMATORY AGENTS | ITALFARMACO S.P.A. (IT) | 1998-10-27 | — | — | US | disclosed |
| EP-0748310-A1 | DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY | ITALFARMACO S.p.A. (IT) | 1996-12-18 | — | — | EP | disclosed |
| WO-1995023128-A1 | DIESTERS OF CARBONIC ACID ENDOWED WITH ANTIVIRAL AND ANTI-INFLAMMATORY ACTIVITY | ITALFARMACO S.P.A. (IT) | 1995-08-31 | — | — | WO | disclosed |