⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9569864 | 0.81 | TRPA1 (0.33) | — | |
| SCHEMBL28185657 | 0.79 | — | — | |
| SCHEMBL21266399 | 0.78 | — | — | |
| SCHEMBL14947430 | 0.78 | — | — | |
| SCHEMBL270904 | 0.78 | — | — | |
| SCHEMBL11057556 | 0.78 | — | — | |
| SCHEMBL18216550 | 0.77 | THRB (0.50) | — | |
| SCHEMBL2516798 | 0.77 | — | — | |
| SCHEMBL45789 | 0.75 | — | — | |
| Boric Acid SCHEMBL29245253 | 0.74 | CYP2C19 (0.30) | — |
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-113045692-B | Method for synthesizing functionalized polymer through post-modification | 温州医科大学附属眼视光医院 | 2022-10-25 | — | — | CN | disclosed |
| CN-113045692-A | Method for synthesizing functionalized polymer through post-modification | 温州医科大学附属眼视光医院 | 2021-06-29 | — | — | CN | disclosed |