⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4125552 | 0.90 | — | — | |
| SCHEMBL4123051 | 0.82 | — | — | |
| SCHEMBL4130857 | 0.78 | — | — | |
| SCHEMBL25422393 | 0.70 | — | — | |
| SCHEMBL20609094 | 0.70 | — | — | |
| SCHEMBL170451 | 0.70 | — | — | |
| SCHEMBL23441676 | 0.70 | — | — | |
| SCHEMBL331555 | 0.67 | — | — | |
| SCHEMBL21624982 | 0.67 | — | — | |
| SCHEMBL20512766 | 0.67 | TDP1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7622526-B2 | Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material | ESSILOR INTERNATIONAL (FR) | 2009-11-24 | — | — | US | disclosed |