⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5287388 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL27863319 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL2784565 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL7500908 | 0.70 | — | — | |
| Bromide SCHEMBL6740300 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL13734250 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL4950713 | 0.67 | — | — | |
| Iodide SCHEMBL15550172 | 0.67 | — | — | |
| SCHEMBL56088 | 0.65 | — | — | |
| SCHEMBL163513 | 0.65 | — | — |
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-115210214-A | Process for alkylating amines | 罗地亚经营管理公司 | 2022-10-18 | — | — | CN | disclosed |