⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9709821 | 1.00 | — | — | |
| SCHEMBL26504095 | 1.00 | — | — | |
| SCHEMBL302202 | 0.97 | — | — | |
| SCHEMBL7697866 | 0.84 | — | — | |
| SCHEMBL7699538 | 0.81 | — | — | |
| SCHEMBL7882362 | 0.81 | — | — | |
| SCHEMBL19927356 | 0.81 | — | — | |
| SCHEMBL9651784 | 0.81 | — | — | |
| SCHEMBL8999627 | 0.79 | — | — | |
| SCHEMBL1087214 | 0.79 | ALDH1A1 (0.31) | — |
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-113811306-A | Topical formulations for the treatment of peripheral neuropathy | 温桑托尔公司 | 2021-12-17 | — | — | CN | disclosed |