⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5205836 | 0.78 | — | — | |
| SCHEMBL11194478 | 0.74 | — | — | |
| SCHEMBL5208736 | 0.74 | — | — | |
| SCHEMBL5720298 | 0.74 | — | — | |
| SCHEMBL17969850 | 0.73 | — | — | |
| SCHEMBL29945388 | 0.72 | — | — | |
| SCHEMBL11185591 | 0.71 | — | — | |
| SCHEMBL11186326 | 0.70 | — | — | |
| SCHEMBL10920033 | 0.69 | — | — | |
| SCHEMBL10818989 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3947459-A | FROM ALKALI SALT OF MERCAPTOTHIAZOLES, AMINES AND BLEACH | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1976-03-30 | — | — | US | claimed |
| US-5124450-A | Reacting solution of 2-mercaptothiazole, saturated secondary heterocyclic amine, sulfur in presence of oxygen, ammonia, copper or cerium catalyst | AKZO N.V. (NL) | 1992-06-23 | — | — | US | disclosed |
| EP-0481366-A1 | Process for the preparation of 2-Aminodithiothiazoles and 2-Aminotrithiothiazoles | Akzo Nobel N.V. (NL) | 1992-04-22 | — | — | EP | disclosed |
| US-3947459-A | FROM ALKALI SALT OF MERCAPTOTHIAZOLES, AMINES AND BLEACH | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1976-03-30 | — | — | US | disclosed |