⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7070990 | 0.80 | MAPK1 (0.38) | — | |
| SCHEMBL229765 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL28053778 | 0.76 | — | — | |
| SCHEMBL28522983 | 0.75 | — | — | |
| SCHEMBL28899032 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL28515491 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL28514379 | 0.71 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL28521263 | 0.70 | — | — | |
| SCHEMBL14280940 | 0.69 | — | — | |
| SCHEMBL4227125 | 0.69 | ALDH1A1 (0.34) | — |
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-107960095-B | Coating composition and optical member | 日产化学工业株式会社 | 2021-02-02 | — | — | CN | disclosed |