⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1348465 | 1.00 | — | — | |
| SCHEMBL15759801 | 0.78 | — | — | |
| SCHEMBL19624258 | 0.74 | — | — | |
| SCHEMBL13180944 | 0.74 | — | — | |
| SCHEMBL194096 | 0.71 | — | — | |
| SCHEMBL29549708 | 0.71 | — | — | |
| SCHEMBL1750877 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL23554633 | 0.67 | TDP1 (0.44) | — | |
| SCHEMBL14533316 | 0.67 | TDP1 (0.44) | — | |
| SCHEMBL2646498 | 0.67 | — | — |
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-117126133-A | Compound and application thereof | 中国海洋大学 | 2023-11-28 | — | — | CN | disclosed |