⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL906315 | 0.94 | — | — | |
| SCHEMBL476457 | 0.91 | GNAI3 (0.30) | — | |
| SCHEMBL1477624 | 0.91 | — | — | |
| Water SCHEMBL28816146 | 0.91 | — | — | |
| Water SCHEMBL28006863 | 0.88 | — | — | |
| SCHEMBL2357618 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11556182 | 0.84 | — | — | |
| SCHEMBL28987048 | 0.83 | — | — | |
| SCHEMBL509603 | 0.77 | CA12 (0.38) | — | |
| SCHEMBL28503023 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6858625-B1 | Quinolinecarboxylic acid derivative or salts thereof | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2005-02-22 | — | — | US | disclosed |
| EP-1193266-B1 | QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF | WAKUNAGA PHARMA CO LTD (JP) | 2003-08-27 | — | — | EP | disclosed |
| EP-1193266-A1 | QUINOLINECARBOXYLIC ACID DERIVATIVE OR SALTS THEREOF | WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) | 2002-04-03 | — | — | EP | disclosed |
| WO-1993007144-A1 | 1,8-BENZONAPHTHYRIDINE DERIVATIVES AND ANTIMICROBIAL COMPOSITIONS | LABORATOIRE ROGER BELLON (FR) | 1993-04-15 | — | — | WO | disclosed |