⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28423275 | 0.84 | — | — | |
| SCHEMBL28428882 | 0.83 | — | — | |
| SCHEMBL9546077 | 0.82 | — | — | |
| SCHEMBL27544032 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL28329931 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL28423273 | 0.73 | — | — | |
| Acrylic Acid SCHEMBL28996451 | 0.73 | HPGD (0.36) | — | |
| SCHEMBL28426748 | 0.71 | — | — | |
| SCHEMBL10377290 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL8960854 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111253533-A | Silicone hydrogel composition, silicone hydrogel lens, and method for manufacturing silicone hydrogel lens | 晶硕光学股份有限公司 | 2020-06-09 | — | — | CN | claimed |
| CN-111253533-A | Silicone hydrogel composition, silicone hydrogel lens, and method for manufacturing silicone hydrogel lens | 晶硕光学股份有限公司 | 2020-06-09 | — | — | CN | disclosed |