⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5220680 | 0.89 | — | — | |
| SCHEMBL6969239 | 0.79 | — | — | |
| SCHEMBL5217400 | 0.79 | — | — | |
| SCHEMBL5213876 | 0.78 | MIF (0.33) | — | |
| SCHEMBL7948205 | 0.78 | MELK (0.33) | — | |
| SCHEMBL7056048 | 0.77 | — | — | |
| SCHEMBL7949475 | 0.77 | MELK (0.34) | — | |
| SCHEMBL5000921 | 0.75 | MAPK1 (0.35) | — | |
| SCHEMBL7947430 | 0.75 | — | — | |
| SCHEMBL7939850 | 0.74 | RIPK2 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286991-B1 | CYCLOPROPYL-ANELLATED 3-(4,5-DIHYDROISOXAZOL-3-YL)-SUBSTITUED BENZOYLPYRAZOLES | BASF AG (DE) | 2007-06-06 | — | — | EP | disclosed |
| US-6627581-B1 | Herbicide; acylating a pyrazole with a benzoic acid derivative | BASF AKTIENGESELLSCHAFT (DE) | 2003-09-30 | — | — | US | disclosed |