⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9754207 | 0.95 | — | — | |
| SCHEMBL9248395 | 0.91 | — | — | |
| SCHEMBL9530791 | 0.86 | — | — | |
| SCHEMBL9527979 | 0.85 | — | — | |
| SCHEMBL9526729 | 0.85 | — | — | |
| SCHEMBL9156443 | 0.84 | — | — | |
| SCHEMBL9526753 | 0.84 | — | — | |
| SCHEMBL9531318 | 0.84 | — | — | |
| SCHEMBL9754293 | 0.84 | — | — | |
| SCHEMBL9530878 | 0.83 | — | — |
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-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |