⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10334749 | 1.00 | — | — | |
| SCHEMBL17616940 | 0.68 | THRB (0.48) | — | |
| SCHEMBL14616278 | 0.68 | THRB (0.48) | — | |
| SCHEMBL17616928 | 0.68 | THRB (0.48) | — | |
| SCHEMBL17616932 | 0.68 | THRB (0.48) | — | |
| SCHEMBL15229554 | 0.65 | GSR (0.35) | — | |
| SCHEMBL6433905 | 0.65 | — | — | |
| SCHEMBL9435445 | 0.65 | — | — | |
| SCHEMBL14222193 | 0.65 | — | — | |
| SCHEMBL17616938 | 0.64 | ALDH1A1 (0.35) | — |
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-4902811-A | ANTIULCER AGENTS | SHIONOGI & CO., LTD. (JP) | 1990-02-20 | — | — | US | disclosed |