⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5608710 | 0.88 | — | — | |
| SCHEMBL18140855 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL5743940 | 0.74 | — | — | |
| SCHEMBL18141551 | 0.72 | TGFBR1 (0.33) | — | |
| SCHEMBL2211096 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL18139295 | 0.72 | — | — | |
| SCHEMBL1412650 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL1412792 | 0.71 | — | — | |
| SCHEMBL1412737 | 0.71 | TP53 (0.31) | — | |
| SCHEMBL1412729 | 0.71 | CA1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6627718-B2 | Polythio(meth)acrylate, bridged ethylenically unsaturated monomoer, and polythiol | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2003-09-30 | — | — | US | disclosed |
| US-20030109655-A1 | Polymerizable compositions for making optical lens with high refractive index and high abbe number, and resulting lens | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2003-06-12 | — | — | US | disclosed |
| US-6479606-B1 | Polymerizable compositions for making optical lens with high refractive index and high abbe number, and resulting lens | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2002-11-12 | — | — | US | disclosed |