⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8035693 | 0.84 | HSP90AA1 (0.35) | — | |
| SCHEMBL8025584 | 0.79 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL8041330 | 0.78 | G6PD (0.34) | — | |
| SCHEMBL8039069 | 0.76 | COMT (0.40) | — | |
| SCHEMBL8037287 | 0.72 | COMT (0.39) | — | |
| SCHEMBL8035730 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL8037400 | 0.70 | TRPV1 (0.40) | — | |
| SCHEMBL8037420 | 0.68 | KMT2A (0.39) | — | |
| SCHEMBL8035106 | 0.68 | COMT (0.36) | — | |
| SCHEMBL8041247 | 0.68 | HSP90AA1 (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-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |