⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11819876 | 0.71 | — | — | |
| SCHEMBL17961005 | 0.69 | — | — | |
| SCHEMBL11834380 | 0.69 | CA1 (0.30) | — | |
| SCHEMBL10049571 | 0.69 | — | — | |
| SCHEMBL723775 | 0.69 | — | — | |
| SCHEMBL20281294 | 0.66 | — | — | |
| SCHEMBL20119418 | 0.62 | — | — | |
| SCHEMBL11157810 | 0.62 | CYP3A4 (0.31) | — | |
| SCHEMBL8696489 | 0.62 | — | — | |
| SCHEMBL713048 | 0.62 | CYP3A4 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114765982-B | Polythiol composition, polymerizable composition, resin, molded article, optical material, and lens | 三井化学株式会社 | 2024-06-28 | — | — | CN | disclosed |