⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8558743 | 0.80 | SPR (0.42) | — | |
| SCHEMBL8132239 | 0.73 | POLB (0.34) | — | |
| SCHEMBL8558921 | 0.72 | RAB9A (0.30) | — | |
| SCHEMBL8132244 | 0.72 | SPR (0.32) | — | |
| SCHEMBL8594051 | 0.71 | — | — | |
| SCHEMBL8558756 | 0.69 | SPR (0.36) | — | |
| SCHEMBL8399062 | 0.67 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL8220757 | 0.67 | — | — | |
| SCHEMBL10053665 | 0.65 | — | — | |
| SCHEMBL8457958 | 0.65 | SMN1; SMN2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| 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 |