⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL575742 | 0.85 | — | — | |
| Fluoride SCHEMBL28873284 | 0.82 | — | — | |
| SCHEMBL15327760 | 0.78 | — | — | |
| Alcohol SCHEMBL17821474 | 0.77 | — | — | |
| SCHEMBL4309346 | 0.74 | — | — | |
| Ether SCHEMBL9814449 | 0.72 | ALDH1A1 (0.35) | — | |
| Ether SCHEMBL1766220 | 0.72 | ALDH1A1 (0.35) | — | |
| Ether SCHEMBL599650 | 0.72 | — | — | |
| Ether SCHEMBL21930394 | 0.72 | — | — | |
| Ether SCHEMBL5027455 | 0.72 | — | — |
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-104049488-B | Image processing system | 株式会社理光 | 2016-11-02 | — | — | CN | disclosed |