⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14280908 | 0.89 | MEN1 (0.32) | — | |
| SCHEMBL13606364 | 0.82 | KDM4E (0.40) | — | |
| SCHEMBL14280903 | 0.81 | — | — | |
| SCHEMBL13606365 | 0.80 | GBA1 (0.40) | — | |
| SCHEMBL4866649 | 0.80 | — | — | |
| SCHEMBL4873071 | 0.80 | CDK2 (0.47) | — | |
| SCHEMBL4874084 | 0.80 | GBA1 (0.39) | — | |
| SCHEMBL4869992 | 0.74 | KCNN3 (0.37) | — | |
| SCHEMBL14587893 | 0.74 | TRPV1 (0.33) | — | |
| SCHEMBL13606366 | 0.68 | HTR2C (0.39) | — |
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-20080021045-A1 | 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action | BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) | 2008-01-24 | — | — | US | disclosed |
| US-20080021045-A1 | 7-Amino-5-Halopyrazolopyrimidines with a Fungicidal Action | BAYER CROPSCIENCE AKTIENGESELLSCHSFT (DE) | 2008-01-24 | — | — | US | disclosed |