⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10913327 | 0.78 | — | — | |
| SCHEMBL10912978 | 0.70 | — | — | |
| SCHEMBL10912231 | 0.65 | — | — | |
| SCHEMBL12018380 | 0.65 | — | — | |
| SCHEMBL10755418 | 0.63 | — | — | |
| SCHEMBL11391118 | 0.62 | — | — | |
| SCHEMBL11395552 | 0.61 | — | — | |
| SCHEMBL18930281 | 0.60 | — | — | |
| SCHEMBL12056244 | 0.59 | — | — | |
| SCHEMBL10913035 | 0.58 | — | — |
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-0053494-B1 | METHOD OF MAKING CERTAIN 2,3-OR 5,6-DIHYDRO-1,4-DITHIINS | UNIROYAL LIMITED (CA) | 1986-11-12 | — | — | EP | disclosed |
| EP-0053494-A1 | Method of making certain 2,3-or 5,6-dihydro-1,4-dithiins | UNIROYAL LIMITED (CA) | 1982-06-09 | — | — | EP | disclosed |
| US-4319033-A | Method of making certain 2,3-dihydro-1,4-dithiins | UNIROYAL LTD. (CA) | 1982-03-09 | — | — | US | disclosed |