⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28060836 | 0.91 | TSHR (0.33) | — | |
| SCHEMBL27627164 | 0.89 | TSHR (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL28095960 | 0.86 | TSHR (0.33) | — | |
| Phosphine SCHEMBL28031042 | 0.86 | TSHR (0.33) | — | |
| Methylamine SCHEMBL28044865 | 0.84 | TSHR (0.32) | — | |
| Propanol SCHEMBL28326996 | 0.83 | — | — | |
| Isothiocyanate SCHEMBL28211010 | 0.81 | — | — | |
| SCHEMBL28099442 | 0.81 | — | — | |
| Ether SCHEMBL28253142 | 0.80 | — | — | |
| Ethylamine SCHEMBL28227030 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103261351-B | Pressure-sensitive adhesive composition for optical film, pressure-sensitive adhesive layer for optical film, pressure-sensitive adhesive optical film, and image display device | 日东电工株式会社 | 2017-05-17 | — | — | CN | disclosed |
| CN-103068922-B | Curable composition | 株式会社钟化 | 2017-02-15 | — | — | CN | disclosed |
| CN-103827226-B | Solidification compound | 株式会社钟化 | 2016-12-07 | — | — | CN | disclosed |