⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9779695 | 0.89 | EPHX1 (0.45) | — | |
| SCHEMBL16802320 | 0.86 | GABRA5 (0.41) | — | |
| SCHEMBL29181629 | 0.83 | EPHX1 (0.30) | — | |
| SCHEMBL11656236 | 0.79 | EPHX1 (0.51) | — | |
| SCHEMBL8393822 | 0.78 | — | — | |
| SCHEMBL8393821 | 0.78 | — | — | |
| SCHEMBL12506840 | 0.76 | — | — | |
| SCHEMBL29171649 | 0.76 | MGAM (0.39) | — | |
| SCHEMBL8396922 | 0.76 | — | — | |
| SCHEMBL8396928 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1386914-B1 | HALOGENATED QUINOLINE DERIVATIVES AND ECTOPARASITE CONTROLLERS | MEIJI SEIKA KAISHA (JP) | 2010-10-27 | — | — | EP | disclosed |
| US-5441959-A | Hypotensive agents; treating congestive heart failure and glaucoma,inhibiting restenosis | MERCK & CO., INC. (US) | 1995-08-15 | — | — | US | disclosed |
| US-3984397-A | CYCLIZATION | FUJISAWA PHARMACEUTICAL CO., LTD. (JA) | 1976-10-05 | — | — | US | disclosed |