⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9527464 | 0.94 | — | — | |
| SCHEMBL9531286 | 0.89 | — | — | |
| SCHEMBL9527188 | 0.84 | — | — | |
| SCHEMBL9526766 | 0.83 | — | — | |
| SCHEMBL9525516 | 0.83 | — | — | |
| SCHEMBL7813160 | 0.83 | — | — | |
| SCHEMBL9366571 | 0.83 | — | — | |
| SCHEMBL7810318 | 0.83 | — | — | |
| SCHEMBL9846053 | 0.83 | — | — | |
| SCHEMBL9154925 | 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 |