⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18948059 | 1.00 | — | — | |
| SCHEMBL16768645 | 1.00 | — | — | |
| SCHEMBL23700049 | 1.00 | — | — | |
| SCHEMBL3222497 | 0.88 | — | — | |
| SCHEMBL3222504 | 0.88 | — | — | |
| SCHEMBL5868371 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL5868370 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL18513512 | 0.77 | — | — | |
| SCHEMBL14015905 | 0.77 | — | — | |
| SCHEMBL18914611 | 0.74 | — | — |
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-104507898-A | Phenol derivative, preparation method and medical application thereof | SICHUAN HAISCO PHARMACEUTICAL CO LTD | 2015-04-08 | — | — | CN | disclosed |