⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10878796 | 0.79 | — | — | |
| SCHEMBL5655723 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL202798 | 0.71 | — | — | |
| Bromide SCHEMBL8731691 | 0.70 | — | — | |
| SCHEMBL29162716 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL1875073 | 0.69 | — | — | |
| SCHEMBL2454862 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL18467790 | 0.69 | — | — | |
| SCHEMBL17541606 | 0.69 | — | — | |
| SCHEMBL4760928 | 0.68 | KMT2A (0.37) | — |
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-102775411-A | Aryl ethynyl benzamide compound used as protein kinase inhibitor | ZHEJIANG DADE PHARMACEUTICAL GROUP CO LTD | 2012-11-14 | — | — | CN | disclosed |