⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8510659 | 0.80 | MAPT (0.37) | — | |
| SCHEMBL8508225 | 0.79 | SPR (0.31) | — | |
| SCHEMBL8558921 | 0.78 | RAB9A (0.30) | — | |
| SCHEMBL8566164 | 0.73 | — | — | |
| SCHEMBL8558991 | 0.73 | SPR (0.31) | — | |
| SCHEMBL8126789 | 0.72 | KMT2A (0.33) | — | |
| SCHEMBL8346483 | 0.71 | GCK (0.32) | — | |
| SCHEMBL8558929 | 0.69 | RAB9A (0.30) | — | |
| SCHEMBL8129451 | 0.68 | — | — | |
| SCHEMBL8129456 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0860441-A1 | Herbicidal derivatives of 1,4-dithiino(2,3c)benzothiopyran | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-08-26 | — | — | EP | disclosed |