⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL619304 | 0.88 | — | — | |
| SCHEMBL2074812 | 0.85 | — | — | |
| SCHEMBL621032 | 0.77 | — | — | |
| Acetone SCHEMBL9169110 | 0.69 | LMNA (0.38) | — | |
| SCHEMBL2361920 | 0.67 | FFAR3 (0.37) | — | |
| Acetone SCHEMBL7399779 | 0.66 | LMNA (0.40) | — | |
| Acetone SCHEMBL7399782 | 0.66 | LMNA (0.40) | — | |
| Acetone SCHEMBL28864865 | 0.66 | LMNA (0.40) | — | |
| SCHEMBL18280225 | 0.65 | — | — | |
| Cyclohexane SCHEMBL1163673 | 0.64 | LMNA (0.67) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6034118-A | ENZYME INHIBITOR | GILEAD SCIENCES, INC. (US) | 2000-03-07 | — | — | US | disclosed |
| US-5811450-A | DIAGNOSIS, TREATMENT OF HIV | GILEAD SCIENCES, INC. (US) | 1998-09-22 | — | — | US | disclosed |
| US-5705524-A | ENZYME INHIBITORS; VIRICIDES | GILEAD SCIENCES, INC. (US) | 1998-01-06 | — | — | US | disclosed |
| EP-0789695-A2 | THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE | GILEAD SCIENCES, INC. (US) | 1997-08-20 | — | — | EP | disclosed |
| WO-1996014314-A2 | THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE | GILEAD SCIENCES, INC. (US) | 1996-05-17 | — | — | WO | disclosed |