⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1099182 | 0.84 | MAOA (0.53) | — | |
| SCHEMBL15760642 | 0.79 | HRH3 (0.43) | — | |
| SCHEMBL1098538 | 0.77 | MAOA (0.51) | — | |
| SCHEMBL12677450 | 0.72 | — | — | |
| SCHEMBL5174920 | 0.70 | ALDH1A1 (0.45) | — | |
| SCHEMBL3427016 | 0.69 | — | — | |
| SCHEMBL9128 | 0.69 | — | — | |
| SCHEMBL9399 | 0.67 | HRH3 (0.65) | — | |
| SCHEMBL1098239 | 0.67 | HRH3 (0.65) | — | |
| SCHEMBL8865 | 0.65 | PAOX (0.52) | — |
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-20100075946-A1 | NOVEL THIOPHENE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-03-25 | — | — | US | claimed |