⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16096027 | 0.79 | — | — | |
| SCHEMBL5017013 | 0.77 | — | — | |
| SCHEMBL1053952 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27832717 | 0.76 | POLB (0.36) | — | |
| SCHEMBL4028301 | 0.74 | HPGD (0.37) | — | |
| SCHEMBL3109587 | 0.73 | GAA (0.36) | — | |
| SCHEMBL3574422 | 0.73 | — | — | |
| SCHEMBL28134219 | 0.72 | ACE (0.39) | — | |
| SCHEMBL31122937 | 0.71 | HPGD (0.35) | — | |
| Hydrochloric Acid SCHEMBL21811983 | 0.71 | GAA (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2368880-A1 | 6-(Heterocycle-Substituted Benzyl)-4-Oxoquinoline Compound and Use of the Same as HIV Integrase Inhibitor | Japan Tobacco, Inc. (JP) | 2011-09-28 | — | — | EP | disclosed |
| US-7872004-B2 | 6-(heterocyclyl-substituted benzyl)-4-oxoquinoline compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2011-01-18 | — | — | US | disclosed |
| EP-2033954-A1 | 6-(HETEROCYCLE-SUBSTITUTED BENZYL)-4-OXOQUINOLINE COMPOUND AND USE OF THE SAME AS HIV INTEGRASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2009-03-11 | — | — | EP | disclosed |
| US-20080207618-A1 | 6- (Heterocyclyl-substituted Benzyl) -4-Oxoquinoline Compound and Use Thereof as HIV Integrase Inhibitor | JAPAN TOBACCO INC. (JP) | 2008-08-28 | — | — | US | disclosed |