⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19872985 | 0.67 | NPC1 (0.35) | — | |
| SCHEMBL8596836 | 0.66 | — | — | |
| SCHEMBL6207220 | 0.64 | — | — | |
| SCHEMBL129723 | 0.63 | ALDH1A1 (0.44) | — | |
| SCHEMBL17900470 | 0.60 | GLI1 (0.32) | — | |
| SCHEMBL2918826 | 0.59 | — | — | |
| SCHEMBL12526040 | 0.59 | SMYD3 (0.32) | — | |
| SCHEMBL12527207 | 0.59 | SMYD3 (0.32) | — | |
| SCHEMBL12526024 | 0.59 | SMYD3 (0.32) | — | |
| SCHEMBL24127282 | 0.58 | BCHE (0.35) | — |
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 |