⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL244227 | 0.98 | — | — | |
| SCHEMBL4614206 | 0.98 | — | — | |
| Isothiocyanate SCHEMBL26666187 | 0.86 | — | — | |
| Isothiocyanate SCHEMBL22974988 | 0.84 | — | — | |
| SCHEMBL100229 | 0.83 | — | — | |
| SCHEMBL810783 | 0.80 | — | — | |
| SCHEMBL11005686 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL22973402 | 0.77 | — | — | |
| SCHEMBL1907966 | 0.75 | — | — | |
| SCHEMBL5276113 | 0.75 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3779531-B1 | PHOTOCHROMIC OPTICAL ARTICLE AND METHOD FOR MANUFACTURING SAME | TOKUYAMA CORP (JP) | 2024-03-20 | — | — | EP | disclosed |
| CN-109790274-B | Urethane resin using polyrotaxane, and polishing pad | 株式会社德山 | 2021-11-02 | — | — | CN | disclosed |
| US-20210108113-A1 | PHOTOCHROMIC OPTICAL ARTICLE AND METHOD FOR MANUFACTURING SAME | TOKUYAMA CORPORATION (JP) | 2021-04-15 | — | — | US | disclosed |
| EP-3779531-A1 | PHOTOCHROMIC OPTICAL ARTICLE AND METHOD FOR MANUFACTURING SAME | Tokuyama Corporation (JP) | 2021-02-17 | — | — | EP | disclosed |
| CN-111989382-A | Photochromic compound, curable composition containing same, and optical article | 株式会社德山 | 2020-11-24 | — | — | CN | disclosed |
| CN-111954832-A | Photochromic optical article and method of making same | 株式会社德山 | 2020-11-17 | — | — | CN | disclosed |
| CN-109790274-A | URETHANE RESIN USING POLYROTAXANE, AND POLISHING PAD | 株式会社德山 | 2019-05-21 | — | — | CN | disclosed |