⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2831222 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL15142221 | 0.83 | — | — | |
| SCHEMBL83131 | 0.83 | — | — | |
| SCHEMBL11419568 | 0.83 | — | — | |
| SCHEMBL11222909 | 0.81 | ALDH1A1 (0.30) | — | |
| Methane SCHEMBL28070355 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL834041 | 0.80 | — | — | |
| SCHEMBL5696405 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL11228055 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL11222121 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113512166-A | Method for producing polymerizable composition for optical material, method for producing transparent resin, and method for producing lens base material | 豪雅镜片泰国有限公司 | 2021-10-19 | — | — | CN | disclosed |
| CN-113512165-A | Method for producing polymerizable composition for optical material, method for producing transparent resin, and method for producing lens base material | 豪雅镜片泰国有限公司 | 2021-10-19 | — | — | CN | disclosed |
| CN-113461867-A | Polymerizable composition for optical material, transparent resin and method for producing same, and lens base material and method for producing same | 豪雅镜片泰国有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-113461903-A | Polymerizable composition for optical material, transparent resin and method for producing same, and lens base material and method for producing same | 豪雅镜片泰国有限公司 | 2021-10-01 | — | — | CN | disclosed |