⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27859215 | 0.77 | MEN1 (0.34) | — | |
| SCHEMBL27606465 | 0.74 | P2RX4 (0.35) | — | |
| SCHEMBL27746276 | 0.69 | GAA (0.32) | — | |
| SCHEMBL27841613 | 0.68 | ESR1 (0.36) | — | |
| SCHEMBL27609187 | 0.67 | CREBBP (0.34) | — | |
| SCHEMBL28291565 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL27590551 | 0.65 | GRIA1 (0.31) | — | |
| SCHEMBL27837405 | 0.64 | ALDH1A1 (0.39) | — | |
| SCHEMBL27608922 | 0.62 | NPC1 (0.33) | — | |
| SCHEMBL27719749 | 0.59 | NISCH (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 |
|---|---|---|---|---|---|---|---|
| CN-101541811-A | Pyrazolopyrimidine Derivatives | DAIICHI SANKYO CO LTD (JP) | 2009-09-23 | — | — | CN | disclosed |