⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL373678 | 0.82 | — | — | |
| SCHEMBL30599289 | 0.79 | — | — | |
| SCHEMBL21986684 | 0.77 | — | — | |
| SCHEMBL20466372 | 0.73 | ADRB2 (0.31) | — | |
| SCHEMBL20466370 | 0.70 | DNM1 (0.35) | — | |
| SCHEMBL17088160 | 0.68 | — | — | |
| SCHEMBL727825 | 0.67 | ADRB2 (0.33) | — | |
| SCHEMBL9819840 | 0.66 | — | — | |
| SCHEMBL2487523 | 0.66 | — | — | |
| SCHEMBL15759902 | 0.66 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112213868-B | Functional contact lens and method for dyeing functional contact lens | 望隼科技股份有限公司 | 2023-04-07 | — | — | CN | disclosed |