⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9023793 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL8548094 | 0.68 | KDM4E (0.39) | — | |
| SCHEMBL8545260 | 0.67 | MAPT (0.41) | — | |
| SCHEMBL8543402 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL8543080 | 0.65 | MAPT (0.35) | — | |
| SCHEMBL8545197 | 0.64 | ERN1 (0.35) | — | |
| SCHEMBL8545252 | 0.61 | ALDH1A1 (0.30) | — | |
| SCHEMBL8539652 | 0.60 | ERO1A (0.33) | — | |
| SCHEMBL9023936 | 0.53 | NQO2 (0.34) | — | |
| SCHEMBL12319890 | 0.52 | KDM4E (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-7165758-A | — | — | None | — | — | JP | disclosed |
| JP-H07165758-A | PRODUCTION OF 7,10-DIHYDROXYPYRAZOLOACRIDONE DERIVATIVE | KYOWA HAKKO KOGYO CO LTD | 1995-06-27 | — | — | JP | disclosed |