⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5221919 | 0.89 | — | — | |
| SCHEMBL5217400 | 0.81 | — | — | |
| SCHEMBL12446690 | 0.80 | — | — | |
| SCHEMBL7056048 | 0.79 | — | — | |
| Topramezone SCHEMBL116121 | 0.79 | — | — | |
| Topramezone SCHEMBL29566850 | 0.79 | — | — | |
| SCHEMBL7230119 | 0.77 | NPC1 (0.31) | — | |
| SCHEMBL12602531 | 0.77 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL28927865 | 0.75 | P2RX3 (0.33) | — | |
| SCHEMBL116122 | 0.75 | — | — |
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 |