⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4459168 | 0.87 | — | — | |
| SCHEMBL384256 | 0.84 | — | — | |
| SCHEMBL5736478 | 0.82 | — | — | |
| SCHEMBL956731 | 0.82 | — | — | |
| SCHEMBL3114407 | 0.79 | — | — | |
| SCHEMBL2892756 | 0.78 | — | — | |
| SCHEMBL1119763 | 0.76 | — | — | |
| SCHEMBL17835320 | 0.76 | — | — | |
| SCHEMBL4460742 | 0.74 | EPHX1 (0.38) | — | |
| SCHEMBL454657 | 0.74 | EPHX1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109293865-B | Polymerizable composition for plastic lenses | SKC株式会社 | 2021-09-24 | — | — | CN | disclosed |