⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21797995 | 0.93 | — | — | |
| SCHEMBL32681267 | 0.82 | — | — | |
| SCHEMBL21798369 | 0.74 | — | — | |
| SCHEMBL22520078 | 0.71 | — | — | |
| SCHEMBL22519929 | 0.71 | — | — | |
| SCHEMBL18205525 | 0.70 | — | — | |
| Water SCHEMBL7203054 | 0.70 | GAA (0.32) | — | |
| SCHEMBL27045239 | 0.69 | — | — | |
| SCHEMBL506367 | 0.68 | — | — | |
| SCHEMBL13840779 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0641306-A1 | CARBOCYCLIC AND HETEROCYCLIC HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-03-08 | — | — | EP | claimed |
| WO-1992021647-A1 | CARBOCYCLIC AND HETEROCYCLIC HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-12-10 | — | — | WO | claimed |