⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3578495 | 0.63 | — | — | |
| SCHEMBL32683634 | 0.63 | — | — | |
| SCHEMBL9128181 | 0.59 | — | — | |
| SCHEMBL283336 | 0.58 | — | — | |
| SCHEMBL9296837 | 0.57 | — | — | |
| SCHEMBL2222242 | 0.55 | ALDH1A1 (0.37) | — | |
| SCHEMBL32667642 | 0.55 | ALDH1A1 (0.37) | — | |
| SCHEMBL2150283 | 0.55 | ALDH1A1 (0.37) | — | |
| SCHEMBL1221805 | 0.54 | OPRM1 (0.34) | — | |
| Bromide SCHEMBL497961 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008104756-A1 | UREA DERIVATIVES AND THEIR THERAPEUTIC USE | SERENTIS LIMITED (GB) | 2008-09-04 | — | — | WO | disclosed |