⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8141439 | 0.79 | KDM4E (0.32) | — | |
| SCHEMBL23280394 | 0.67 | CA1 (0.38) | — | |
| SCHEMBL17121771 | 0.66 | — | — | |
| SCHEMBL8602119 | 0.66 | — | — | |
| SCHEMBL5789731 | 0.64 | — | — | |
| SCHEMBL1515353 | 0.63 | RECQL (0.31) | — | |
| SCHEMBL19539208 | 0.63 | — | — | |
| SCHEMBL2541064 | 0.61 | — | — | |
| SCHEMBL16491486 | 0.59 | RAB9A (0.38) | — | |
| SCHEMBL354194 | 0.58 | CHRNB2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6165944-A | 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |