⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL783095 | 0.76 | — | — | |
| Water SCHEMBL10620440 | 0.74 | NAPRT (0.48) | — | |
| SCHEMBL3530393 | 0.63 | NAPRT (0.72) | — | |
| SCHEMBL19354661 | 0.62 | NAPRT (0.42) | — | |
| SCHEMBL91340 | 0.62 | ALDH1A1 (0.45) | — | |
| SCHEMBL23907036 | 0.59 | NAPRT (0.63) | — | |
| SCHEMBL4331843 | 0.58 | NAPRT (0.39) | — | |
| SCHEMBL6645024 | 0.58 | — | — | |
| SCHEMBL13928863 | 0.58 | — | — | |
| SCHEMBL27621311 | 0.57 | POLB (0.53) | — |
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 |