⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7689642 | 1.00 | — | — | |
| SCHEMBL26131061 | 0.80 | — | — | |
| Bicarbonate SCHEMBL1058643 | 0.76 | FFAR3 (0.50) | — | |
| Bicarbonate SCHEMBL27793478 | 0.76 | FFAR3 (0.50) | — | |
| Bicarbonate SCHEMBL20423710 | 0.73 | FFAR3 (0.46) | — | |
| Bicarbonate SCHEMBL10180649 | 0.73 | FFAR3 (0.46) | — | |
| SCHEMBL7690945 | 0.73 | — | — | |
| SCHEMBL13423857 | 0.72 | — | — | |
| SCHEMBL727585 | 0.72 | — | — | |
| SCHEMBL726605 | 0.72 | — | — |
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 |