⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22415201 | 0.77 | — | — | |
| SCHEMBL15182725 | 0.74 | — | — | |
| SCHEMBL14612460 | 0.72 | — | — | |
| SCHEMBL10967328 | 0.70 | — | — | |
| SCHEMBL10967329 | 0.70 | — | — | |
| SCHEMBL10737278 | 0.67 | — | — | |
| SCHEMBL17887834 | 0.67 | — | — | |
| SCHEMBL19874049 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL16550173 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL16512147 | 0.65 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-20190127370-A1 | DIAZANAPHTHALEN-3-YL CARBOXAMIDES AND PREPARATION AND USE THEREOF | VICKERS-SPLICE CO-INVESTMENT LLC (KY) | 2019-05-02 | — | — | US | disclosed |