⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9754223 | 0.93 | — | — | |
| SCHEMBL9526729 | 0.91 | — | — | |
| SCHEMBL9154925 | 0.90 | — | — | |
| SCHEMBL9527437 | 0.89 | — | — | |
| SCHEMBL9527501 | 0.89 | — | — | |
| SCHEMBL9153031 | 0.89 | — | — | |
| SCHEMBL9151865 | 0.88 | — | — | |
| SCHEMBL9149869 | 0.88 | — | — | |
| SCHEMBL9754208 | 0.87 | — | — | |
| SCHEMBL9154662 | 0.87 | — | — |
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 |