⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19005565 | 0.73 | KDM4E (0.30) | — | |
| SCHEMBL19005531 | 0.70 | — | — | |
| SCHEMBL109072 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL1578935 | 0.66 | PDPK1 (0.47) | — | |
| SCHEMBL928013 | 0.61 | GSK3B (0.38) | — | |
| SCHEMBL19866137 | 0.61 | PDPK1 (0.55) | — | |
| SCHEMBL22314692 | 0.61 | SOD3 (0.33) | — | |
| SCHEMBL19005564 | 0.60 | HTR2C (0.32) | — | |
| SCHEMBL24656037 | 0.60 | GSK3B (0.32) | — | |
| SCHEMBL929279 | 0.60 | POLB (0.47) | — |
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-2017101796-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |