⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22062205 | 0.72 | — | — | |
| SCHEMBL11955561 | 0.71 | — | — | |
| SCHEMBL13531876 | 0.71 | — | — | |
| SCHEMBL22664173 | 0.71 | — | — | |
| SCHEMBL28195513 | 0.71 | P4HTM (0.55) | — | |
| SCHEMBL1603197 | 0.70 | CA2 (0.51) | — | |
| SCHEMBL9372991 | 0.67 | — | — | |
| SCHEMBL8247097 | 0.67 | MPI (0.47) | — | |
| SCHEMBL13174955 | 0.67 | HCAR3 (0.48) | — | |
| SCHEMBL13268750 | 0.67 | GAA (0.41) | — |
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-4293542-A | PYRIDINE N-OXIDE DERIVATIVE | L'OREAL (FR) | 1981-10-06 | — | — | US | disclosed |