⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18404 | 0.85 | — | — | |
| Methane SCHEMBL22577713 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL10557869 | 0.83 | — | — | |
| Formamide SCHEMBL28188115 | 0.74 | — | — | |
| SCHEMBL176191 | 0.69 | HCAR2 (0.33) | — | |
| Formic Acid SCHEMBL30730045 | 0.64 | HCAR2 (0.40) | — | |
| SCHEMBL27390537 | 0.64 | — | — | |
| SCHEMBL2638363 | 0.62 | — | — | |
| SCHEMBL1504 | 0.60 | — | — | |
| SCHEMBL19361932 | 0.60 | — | — |
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-106715400-A | Process for preparing pyrazole-4-carboxamides | 索尔维公司 | 2017-05-24 | — | — | CN | disclosed |