⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL293376 | 0.74 | — | — | |
| SCHEMBL22557846 | 0.72 | — | — | |
| SCHEMBL690803 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL15995645 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL1559316 | 0.67 | ADORA2A (0.41) | — | |
| SCHEMBL21938881 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL3518233 | 0.65 | ADORA2A (0.40) | — | |
| SCHEMBL17076907 | 0.65 | LRRK2 (0.40) | — | |
| SCHEMBL5020882 | 0.64 | MEN1 (0.34) | — | |
| SCHEMBL21863534 | 0.64 | DRD2 (0.37) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |