⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8547225 | 0.87 | NQO1 (0.33) | — | |
| SCHEMBL8546612 | 0.86 | HTR2A (0.32) | — | |
| SCHEMBL8541435 | 0.82 | HSP90AA1 (0.33) | — | |
| SCHEMBL8547454 | 0.80 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL8545408 | 0.76 | NQO2 (0.36) | — | |
| SCHEMBL8547828 | 0.75 | NQO1 (0.35) | — | |
| SCHEMBL8541462 | 0.74 | NQO2 (0.40) | — | |
| SCHEMBL8545884 | 0.73 | CYP19A1 (0.31) | — | |
| SCHEMBL8540653 | 0.71 | NQO2 (0.37) | — | |
| SCHEMBL8541245 | 0.70 | NQO2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0487097-B1 | Pyrazoloacridone derivatives | KYOWA HAKKO KOGYO KK (JP) | 1998-10-14 | — | — | EP | disclosed |
| US-5220026-A | Antitumor agents | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-06-15 | — | — | US | disclosed |
| EP-0487097-A1 | Pyrazoloacridone derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-05-27 | — | — | EP | disclosed |