⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1577602 | 0.72 | — | — | |
| SCHEMBL2332935 | 0.72 | — | — | |
| SCHEMBL1782870 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6987469 | 0.69 | — | — | |
| Chlorobutanol SCHEMBL4636905 | 0.67 | THRB (0.62) | — | |
| SCHEMBL6279291 | 0.67 | — | — | |
| SCHEMBL7974761 | 0.67 | — | — | |
| SCHEMBL8503591 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL11820238 | 0.64 | — | — | |
| SCHEMBL11007067 | 0.64 | — | — |
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-0496012-B1 | Process for the selective flotation of metal ores using 2-mercaptothiazole derivatives | CONSIGLIO NAZIONALE RICERCHE (IT) | 1995-07-19 | — | — | EP | disclosed |
| EP-0496012-A1 | Process for the selective flotation of metal ores using 2-mercaptothiazole derivatives | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1992-07-29 | — | — | EP | disclosed |
| US-5120432-A | Process for the selective flotation of metal ores using 2-mercaptothi-azole derivatives | CONSIGLIO NAZIONALE DELLE RICERCHE (IT) | 1992-06-09 | — | — | US | disclosed |