⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL165066 | 0.93 | — | — | |
| SCHEMBL10443275 | 0.79 | CA2 (0.34) | — | |
| SCHEMBL10959257 | 0.79 | CA2 (0.34) | — | |
| SCHEMBL16520388 | 0.79 | CA2 (0.34) | — | |
| SCHEMBL1332471 | 0.78 | — | — | |
| SCHEMBL15121257 | 0.76 | — | — | |
| SCHEMBL17157573 | 0.76 | — | — | |
| SCHEMBL5620015 | 0.76 | — | — | |
| SCHEMBL23797147 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL22444564 | 0.74 | ALDH1A1 (0.40) | — |
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-110885413-A | Polycarboxylate superplasticizer based on ATRP method phenylamide block polymer modification and preparation method thereof | 湖北工业大学 | 2020-03-17 | — | — | CN | disclosed |