⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3570927 | 0.86 | — | — | |
| SCHEMBL19438830 | 0.85 | HEXA (0.30) | — | |
| SCHEMBL16592114 | 0.83 | HRH1 (0.33) | — | |
| SCHEMBL19438827 | 0.81 | PDK2 (0.35) | — | |
| SCHEMBL2951930 | 0.81 | L3MBTL1 (0.40) | — | |
| SCHEMBL14991007 | 0.80 | JAK2 (0.37) | — | |
| SCHEMBL17943855 | 0.79 | KDR (0.40) | — | |
| SCHEMBL7338253 | 0.79 | KDR (0.40) | — | |
| SCHEMBL177537 | 0.78 | L3MBTL1 (0.41) | — | |
| SCHEMBL5016729 | 0.78 | CSNK2A2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040157892-A1 | Pesticidal fluoroethyl pyrazoles | CROMPTON CO./CIE | 2004-08-12 | — | — | US | disclosed |