⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4695460 | 0.68 | — | — | |
| SCHEMBL761252 | 0.68 | — | — | |
| SCHEMBL13507382 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL28185880 | 0.64 | — | — | |
| SCHEMBL12395205 | 0.64 | — | — | |
| SCHEMBL12139560 | 0.64 | — | — | |
| SCHEMBL28480594 | 0.64 | — | — | |
| SCHEMBL8582512 | 0.64 | — | — | |
| SCHEMBL25410272 | 0.60 | ALDH1A1 (0.36) | — | |
| SCHEMBL31734201 | 0.60 | ALDH1A1 (0.36) | — |
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-105392788-B | Substituted bridging urea analog as Sirtuin conditioning agent | 葛兰素史密斯克莱有限责任公司 | 2018-10-23 | — | — | CN | disclosed |