⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11587979 | 0.91 | ALDH1A1 (0.43) | — | |
| SCHEMBL11636188 | 0.86 | — | — | |
| SCHEMBL1519900 | 0.79 | — | — | |
| SCHEMBL21680768 | 0.79 | — | — | |
| SCHEMBL25050720 | 0.77 | — | — | |
| SCHEMBL20220922 | 0.77 | — | — | |
| SCHEMBL10785356 | 0.75 | ALDH1A1 (0.57) | — | |
| SCHEMBL14471768 | 0.75 | ALDH1A1 (0.57) | — | |
| SCHEMBL10900750 | 0.75 | ALDH1A1 (0.57) | — | |
| SCHEMBL19176934 | 0.74 | MEN1 (0.64) | — |
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-1996021652-A1 | 4-ARYL- AND 4-HETEROARYL -5-OXOPYRAZOLINE DERIVATIVES HAVING PESTICIDAL PROPERTIES | NOVARTIS AG (CH) | 1996-07-18 | — | — | WO | disclosed |