⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28949340 | 0.78 | TSHR (0.35) | — | |
| SCHEMBL11917533 | 0.75 | — | — | |
| SCHEMBL8419986 | 0.73 | — | — | |
| SCHEMBL31558692 | 0.73 | — | — | |
| SCHEMBL5510334 | 0.71 | — | — | |
| SCHEMBL6355102 | 0.71 | FOLH1 (0.44) | — | |
| SCHEMBL10903578 | 0.70 | — | — | |
| SCHEMBL7195309 | 0.70 | — | — | |
| SCHEMBL12134388 | 0.67 | — | — | |
| SCHEMBL10496326 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1392760-A1 | PHOTOPOLYMERIZATION OF EPISULFIDES USING METAL COMPLEXES AND ITS USE FOR MAKING OPHTHALMIC LENSES | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002088220-A1 | PHOTOPOLYMERIZATION OF EPISULFIDES USING METAL COMPLEXES AND ITS USE FOR MAKING OPHTHALMIC LENSES | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2002-11-07 | — | — | WO | disclosed |