⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18294606 | 0.84 | — | — | |
| SCHEMBL25282379 | 0.82 | NPC1 (0.67) | — | |
| SCHEMBL29411871 | 0.82 | NPC1 (0.67) | — | |
| SCHEMBL8980379 | 0.81 | NPC1 (0.57) | — | |
| SCHEMBL8980373 | 0.81 | — | — | |
| SCHEMBL8980461 | 0.81 | NPC1 (0.57) | — | |
| SCHEMBL8980231 | 0.81 | NPC1 (0.57) | — | |
| SCHEMBL31237357 | 0.81 | ALDH1A1 (0.65) | — | |
| SCHEMBL8737366 | 0.81 | ALDH1A1 (0.65) | — | |
| SCHEMBL13232484 | 0.81 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5571822-A | AMINO-2-PHENYL-4-QUINOLONE DERIVATIVES | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1996-11-05 | — | — | US | disclosed |
| WO-1996010563-A1 | 2-ARYL-4-QUINOLONES AS ANTITUMOR COMPOUNDS | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1996-04-11 | — | — | WO | disclosed |