⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18748 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL28294926 | 0.76 | — | — | |
| SCHEMBL43611 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL28296668 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL28294927 | 0.74 | — | — | |
| SCHEMBL5984121 | 0.72 | — | — | |
| SCHEMBL25275165 | 0.72 | — | — | |
| SCHEMBL28152266 | 0.72 | — | — | |
| SCHEMBL246505 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL4353305 | 0.70 | — | — |
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-109890906-A | water-soluble azo compound or salt thereof, ink, and recording medium | 日本化药株式会社 | 2019-06-14 | — | — | CN | disclosed |