⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7693134 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL24798095 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL6980698 | 0.65 | — | — | |
| SCHEMBL1263460 | 0.65 | — | — | |
| SCHEMBL1017647 | 0.64 | — | — | |
| SCHEMBL674965 | 0.63 | — | — | |
| SCHEMBL11130306 | 0.63 | — | — | |
| Acrylic Acid SCHEMBL4644611 | 0.63 | LMNA (0.62) | — | |
| SCHEMBL6055568 | 0.62 | LMNA (0.30) | — | |
| SCHEMBL2284156 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2002020487-A1 | SUBSTITUTED 1-ARYL-PYRIDIN-2-(THI)ONES | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-14 | — | — | WO | disclosed |