⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2094686 | 0.72 | HSD17B10 (0.31) | — | |
| SCHEMBL131589 | 0.69 | IDH1 (0.35) | — | |
| SCHEMBL643262 | 0.69 | — | — | |
| SCHEMBL128315 | 0.69 | — | — | |
| SCHEMBL2094742 | 0.67 | RAB9A (0.35) | — | |
| SCHEMBL6266188 | 0.65 | MEN1 (0.35) | — | |
| SCHEMBL19873368 | 0.65 | — | — | |
| SCHEMBL6858305 | 0.65 | — | — | |
| SCHEMBL9264968 | 0.64 | — | — | |
| SCHEMBL770845 | 0.64 | — | — |
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-5395845-A | Insecticides | ROUSSEL-UCLAF (FR) | 1995-03-07 | — | — | US | disclosed |