⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4719323 | 0.75 | TP53 (0.35) | — | |
| SCHEMBL42466 | 0.73 | P2RX4 (0.32) | — | |
| SCHEMBL5932574 | 0.71 | TP53 (0.37) | — | |
| SCHEMBL2334377 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL12233190 | 0.67 | CHRM2 (0.37) | — | |
| Bicarbonate SCHEMBL6614831 | 0.63 | ALDH1A1 (0.50) | — | |
| Bicarbonate SCHEMBL14244879 | 0.63 | ALDH1A1 (0.50) | — | |
| SCHEMBL21726158 | 0.61 | TP53 (0.33) | — | |
| SCHEMBL9452159 | 0.61 | — | — | |
| SCHEMBL4722791 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |