⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8443094 | 0.94 | — | — | |
| SCHEMBL27362475 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL28202321 | 0.59 | — | — | |
| SCHEMBL28181955 | 0.56 | — | — | |
| SCHEMBL3732292 | 0.56 | — | — | |
| SCHEMBL38651245 | 0.47 | — | — | |
| SCHEMBL13834573 | 0.43 | — | — | |
| SCHEMBL30574445 | 0.40 | CDC25B (0.30) | — | |
| SCHEMBL29846477 | 0.40 | CDC25B (0.30) | — | |
| SCHEMBL6425647 | 0.40 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4454336-A | Derivatives of 3-(formylmethylthio)-propanoate | AMERICAN CYANAMID COMPANY (US) | 1984-06-12 | — | — | US | disclosed |
| EP-0104403-A1 | New method for the synthesis of 5-thio-1,2,3-thiadiazole | AMERICAN CYANAMID COMPANY (US) | 1984-04-04 | — | — | EP | disclosed |