⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7447857 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL7440895 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL7442024 | 0.64 | MAOA (0.44) | — | |
| SCHEMBL7442018 | 0.64 | MAOA (0.44) | — | |
| SCHEMBL7445686 | 0.61 | MEN1 (0.31) | — | |
| SCHEMBL7434413 | 0.61 | MAOA (0.39) | — | |
| SCHEMBL7444026 | 0.61 | MAOA (0.39) | — | |
| SCHEMBL7444576 | 0.59 | LMNA (0.38) | — | |
| SCHEMBL7439560 | 0.58 | LMNA (0.31) | — | |
| SCHEMBL27670530 | 0.55 | HSD11B1 (0.40) | — |
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-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 |
| EP-0641306-A1 | CARBOCYCLIC AND HETEROCYCLIC HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1995-03-08 | — | — | EP | disclosed |
| WO-1992021647-A1 | CARBOCYCLIC AND HETEROCYCLIC HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-12-10 | — | — | WO | disclosed |