⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28833146 | 1.00 | — | — | |
| SCHEMBL16516673 | 0.83 | PPM1D (0.33) | — | |
| SCHEMBL29599566 | 0.83 | PPM1D (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL29183356 | 0.81 | PPM1D (0.33) | — | |
| SCHEMBL8830660 | 0.81 | — | — | |
| SCHEMBL490362 | 0.81 | PPM1D (0.30) | — | |
| SCHEMBL19945733 | 0.81 | PPM1D (0.30) | — | |
| SCHEMBL3577011 | 0.81 | PPM1D (0.30) | — | |
| SCHEMBL4478412 | 0.78 | PPM1D (0.30) | — | |
| SCHEMBL4478414 | 0.78 | PPM1D (0.30) | — |
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-115003670-A | Heterocyclic compounds | 武田药品工业株式会社 | 2022-09-02 | — | — | CN | disclosed |