⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6541014 | 0.58 | — | — | |
| SCHEMBL6541862 | 0.52 | — | — | |
| SCHEMBL29590064 | 0.52 | CDC25B (0.39) | — | |
| SCHEMBL367524 | 0.52 | CDC25B (0.39) | — | |
| Water SCHEMBL1504509 | 0.51 | CDC25B (0.38) | — | |
| SCHEMBL198750 | 0.51 | — | — | |
| SCHEMBL127479 | 0.51 | EGFR (0.50) | — | |
| SCHEMBL156285 | 0.50 | — | — | |
| SCHEMBL3292267 | 0.49 | PIK3CG (0.47) | — | |
| SCHEMBL691236 | 0.49 | — | — |
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-20060217400-A1 | Triazolopyrimidines, methods for the production thereof, use thereof for controlling harmful fungi, and substances containing said triazolopyrimidines | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-28 | — | — | US | claimed |
| US-20060217400-A1 | Triazolopyrimidines, methods for the production thereof, use thereof for controlling harmful fungi, and substances containing said triazolopyrimidines | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-28 | — | — | US | disclosed |