⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9750801 | 0.79 | — | — | |
| SCHEMBL17793648 | 0.78 | — | — | |
| SCHEMBL24113436 | 0.74 | — | — | |
| SCHEMBL29236205 | 0.73 | — | — | |
| SCHEMBL13902484 | 0.72 | — | — | |
| SCHEMBL4041071 | 0.71 | — | — | |
| SCHEMBL1564030 | 0.70 | — | — | |
| SCHEMBL13878222 | 0.70 | — | — | |
| SCHEMBL29180199 | 0.70 | — | — | |
| SCHEMBL19356817 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5776933-A | Method of inhibiting protease | E. R. SQUIBB & SONS, INC. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5760036-A | ENZYME INHIBITORS OF RETROVIRAL PROTEASE FOR PREVENTION OF AIDS | E. R. SQUIBB & SONS, INC. (US) | 1998-06-02 | — | — | US | disclosed |
| US-5559256-A | Aminediol protease inhibitors | E. R. SQUIBB & SONS, INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0580402-A2 | Aminediol protease inhibitors | E.R. SQUIBB & SONS, INC. (US) | 1994-01-26 | — | — | EP | disclosed |