⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7142215 | 0.90 | — | — | |
| SCHEMBL7036321 | 0.89 | — | — | |
| Topramezone SCHEMBL29566850 | 0.88 | — | — | |
| Topramezone SCHEMBL116121 | 0.88 | — | — | |
| SCHEMBL702111 | 0.85 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL6605808 | 0.83 | HDAC9 (0.31) | — | |
| SCHEMBL13415355 | 0.83 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL28008119 | 0.81 | NPC1 (0.30) | — | |
| SCHEMBL5213876 | 0.81 | MIF (0.33) | — | |
| SCHEMBL7948205 | 0.81 | MELK (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1135388-B1 | 3-(HETEROCYCLYL)-SUBSTITUTED BENZOYLPYRAZOLS | BASF AG (DE) | 2003-09-10 | — | — | EP | disclosed |
| CN-1332738-A | 3- (heterocyclyl) -substituted benzoylpyrazoles | BASF AG (DE) | 2002-01-23 | — | — | CN | disclosed |
| EP-1135388-A2 | 3-(HETEROCYCLYL)-SUBSTITUTED BENZOYLPYRAZOLS | BASF AKTIENGESELLSCHAFT (DE) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034273-A2 | 3-(HETEROCYCLYL)-SUBSTITUTED BENZOYLPYRAZOLS | BASF AKTIENGESELLSCHAFT (DE) | 2000-06-15 | — | — | WO | disclosed |