⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL422585 | 0.85 | — | — | |
| SCHEMBL8198708 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL7041741 | 0.82 | PLA2G2C (0.39) | — | |
| SCHEMBL28151152 | 0.79 | — | — | |
| SCHEMBL6691623 | 0.79 | CRAT (0.37) | — | |
| SCHEMBL4578510 | 0.78 | — | — | |
| SCHEMBL48989 | 0.78 | — | — | |
| SCHEMBL14970377 | 0.78 | — | — | |
| SCHEMBL5669163 | 0.78 | — | — | |
| SCHEMBL29278248 | 0.77 | CA12 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5668178-A | VIRICIDE, BACTERICIDE, HIV | WARNER-LAMBERT COMPANY (US) | 1997-09-16 | — | — | US | disclosed |
| US-5463122-A | Amido-phenylthiols or dithiobisbenzamides as bactericides, viricides, retrovirus antigrowth agents; AIDS | WARNER-LAMBERT COMPANY (US) | 1995-10-31 | — | — | US | disclosed |