⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6480083 | 0.83 | — | — | |
| SCHEMBL6479391 | 0.79 | — | — | |
| SCHEMBL5955395 | 0.78 | GRM5 (0.34) | — | |
| SCHEMBL5227759 | 0.77 | DHODH (0.38) | — | |
| SCHEMBL5745486 | 0.76 | KDM4E (0.36) | — | |
| SCHEMBL3276173 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL6068158 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL6206302 | 0.69 | ABCB1 (0.48) | — | |
| SCHEMBL5955543 | 0.66 | HPGD (0.34) | — | |
| SCHEMBL5232625 | 0.66 | CDK2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050272748-A1 | 2-Mercapto-substituted triazolopyrimidines, methods for the production thereof, the use of the same for controlling patogenic fungi, and agents containing said compounds | BASF AKTIENGESELLSCHAFT (DE) | 2005-12-08 | — | — | US | disclosed |
| EP-1575957-A1 | 2-MERCAPTO-SUBSTITUTED TRIAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, THE USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI, AND AGENTS CONTAINING SAID COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004046149-A1 | 2-MERCAPTO-SUBSTITUTED TRIAZOLOPYRIMIDINES, METHODS FOR THE PRODUCTION THEREOF, THE USE OF THE SAME FOR CONTROLLING PATHOGENIC FUNGI, AND AGENTS CONTAINING SAID COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2004-06-03 | — | — | WO | disclosed |