⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6009857 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL16235834 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL971033 | 0.87 | — | — | |
| Water SCHEMBL28189259 | 0.75 | — | — | |
| SCHEMBL4307117 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL29007152 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL16777061 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL3061245 | 0.71 | — | — | |
| SCHEMBL20376 | 0.71 | — | — | |
| SCHEMBL22151318 | 0.71 | — | — |
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-103889951-B | Azole derivative | 大正制药株式会社 | 2016-12-14 | — | — | CN | disclosed |