⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7430219 | 0.80 | TDP1 (0.38) | — | |
| SCHEMBL27695438 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL22040807 | 0.73 | GRIK1 (0.30) | — | |
| SCHEMBL23891620 | 0.70 | — | — | |
| SCHEMBL11303805 | 0.68 | ALDH1A1 (0.38) | — | |
| SCHEMBL28980823 | 0.67 | EGLN1 (0.41) | — | |
| SCHEMBL3497368 | 0.66 | TDP1 (0.38) | — | |
| SCHEMBL3901135 | 0.65 | MVD (0.39) | — | |
| SCHEMBL24892647 | 0.64 | TDP1 (0.32) | — | |
| SCHEMBL321404 | 0.64 | TDP1 (0.39) | — |
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-2020108500-A1 | HISTONE ACETYLASE P300 INHIBITOR AND USE THEREOF | 成都海创药业有限公司 | 2020-06-04 | — | — | WO | disclosed |