⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9753976 | 0.90 | — | — | |
| SCHEMBL9754055 | 0.90 | — | — | |
| SCHEMBL7803486 | 0.89 | — | — | |
| SCHEMBL9525955 | 0.84 | — | — | |
| SCHEMBL9526729 | 0.82 | — | — | |
| SCHEMBL7810041 | 0.79 | — | — | |
| SCHEMBL9526943 | 0.76 | — | — | |
| SCHEMBL8877556 | 0.76 | — | — | |
| SCHEMBL8878181 | 0.76 | AGTR1 (0.42) | — | |
| SCHEMBL2871115 | 0.74 | ACHE (0.45) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0523141-A4 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | — | 1993-04-21 | — | — | EP | disclosed |
| EP-0523141-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO. INC. (US) | 1993-01-20 | — | — | EP | disclosed |
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |