⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9033980 | 0.91 | — | — | |
| SCHEMBL9035111 | 0.83 | PRMT5 (0.31) | — | |
| SCHEMBL9033878 | 0.83 | KDM4E (0.34) | — | |
| SCHEMBL9034028 | 0.82 | USP2 (0.34) | — | |
| SCHEMBL9035748 | 0.78 | C5AR1 (0.35) | — | |
| SCHEMBL9032962 | 0.78 | USP2 (0.31) | — | |
| SCHEMBL8840430 | 0.78 | KMT2A (0.33) | — | |
| SCHEMBL9033920 | 0.77 | TP53 (0.35) | — | |
| SCHEMBL9034904 | 0.76 | PDE10A (0.30) | — | |
| SCHEMBL8840431 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0719256-A1 | SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995007891-A1 | SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1995-03-23 | — | — | WO | disclosed |