⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27907678 | 0.83 | — | — | |
| SCHEMBL28520181 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL9720288 | 0.81 | SLC6A2 (0.36) | — | |
| SCHEMBL4533819 | 0.79 | TAAR1 (0.37) | — | |
| SCHEMBL4284401 | 0.79 | OPRM1 (0.31) | — | |
| SCHEMBL2404032 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL28009306 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL3219070 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL509806 | 0.76 | PARP1 (0.33) | — | |
| SCHEMBL28119517 | 0.75 | MEN1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1067901-B1 | LOW RESIDUE COSMETIC COMPOSITION | COLGATE PALMOLIVE CO (US) | 2003-01-02 | — | — | EP | claimed |