⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14106458 | 0.79 | — | — | |
| SCHEMBL160486 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL2208055 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL997337 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL4857665 | 0.77 | — | — | |
| SCHEMBL714832 | 0.77 | TDP1 (0.38) | — | |
| SCHEMBL5608765 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL1804131 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL20094732 | 0.75 | — | — | |
| SCHEMBL14254732 | 0.74 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7981944-B2 | Mixture of acrylated esters; photoinitiators | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2011-07-19 | — | — | US | disclosed |
| US-20070087123-A1 | Photocurable adhesive composition and its use in the optical field | ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) | 2007-04-19 | — | — | US | disclosed |