⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18420875 | 0.90 | ALDH1A1 (0.42) | — | |
| SCHEMBL16868373 | 0.90 | ALDH1A1 (0.47) | — | |
| SCHEMBL23651597 | 0.88 | ALDH1A1 (0.50) | — | |
| SCHEMBL17082979 | 0.88 | ALDH1A1 (0.50) | — | |
| SCHEMBL20633697 | 0.86 | NEK2 (0.36) | — | |
| SCHEMBL24767075 | 0.78 | LMNA (0.31) | — | |
| SCHEMBL2490406 | 0.74 | CRBN (0.32) | — | |
| SCHEMBL8823492 | 0.65 | — | — | |
| SCHEMBL3294095 | 0.65 | — | — | |
| SCHEMBL12479523 | 0.64 | CRBN (0.40) | — |
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-2019174607-A1 | DIHYDROPYRIDOPHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海艾力斯医药科技有限公司 | 2019-09-19 | — | — | WO | disclosed |