⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10910594 | 0.64 | — | — | |
| SCHEMBL7929102 | 0.64 | — | — | |
| SCHEMBL8982120 | 0.61 | — | — | |
| SCHEMBL16589782 | 0.61 | — | — | |
| SCHEMBL8746830 | 0.59 | — | — | |
| SCHEMBL11595279 | 0.59 | — | — | |
| SCHEMBL18932315 | 0.56 | — | — | |
| SCHEMBL11395975 | 0.56 | CA1 (0.31) | — | |
| SCHEMBL2116781 | 0.52 | — | — | |
| SCHEMBL13213163 | 0.50 | — | — |
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-0582183-B1 | Process to prepare dithiocarbonates from trithiocarbonates | CONSIGLIO NAZIONALE RICERCHE (IT) | 1996-05-29 | — | — | EP | disclosed |
| EP-0582183-A1 | Process to prepare dithiocarbonates from trithiocarbonates | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1994-02-09 | — | — | EP | disclosed |
| US-4072692-A | Trans-4-(8-hydroxyoctyl)-5-octyl-1,3-dithiolane-2-thione | STERLING DRUG INC. (US) | 1978-02-07 | — | — | US | disclosed |