⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4677478 | 0.90 | MEN1 (0.33) | — | |
| SCHEMBL4676618 | 0.89 | ALDH1A1 (0.38) | — | |
| SCHEMBL4671305 | 0.89 | ALDH1A1 (0.38) | — | |
| SCHEMBL4672766 | 0.88 | LTB4R (0.39) | — | |
| SCHEMBL4676152 | 0.88 | MAPK8 (0.33) | — | |
| SCHEMBL4676465 | 0.88 | KMT2A (0.36) | — | |
| SCHEMBL4674235 | 0.83 | NPC1 (0.30) | — | |
| SCHEMBL4677252 | 0.83 | CES1 (0.32) | — | |
| SCHEMBL4672570 | 0.82 | HCAR2 (0.39) | — | |
| SCHEMBL4677422 | 0.81 | CYP2C9 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1142872-B1 | AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES | SHIONOGI & CO (JP) | 2008-10-15 | — | — | EP | disclosed |
| US-7098201-B2 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | SHIONOGI & CO., LTD. (JP) | 2006-08-29 | — | — | US | disclosed |
| US-20040002485-A1 | Heteroaromatic derivatives having an inhibitory activity against HIV integrase | FUJISHITA TOSHIO (JP) | 2004-01-01 | — | — | US | disclosed |
| US-6645956-B1 | 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment | SHIONOGI & CO., LTD. (JP) | 2003-11-11 | — | — | US | disclosed |
| US-6620841-B1 | Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) | SHIONOGI & CO., LTD. (JP) | 2003-09-16 | — | — | US | disclosed |
| EP-1142872-A1 | AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES | SHIONOGI & CO., LTD. (JP) | 2001-10-10 | — | — | EP | disclosed |