⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11365387 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL11000421 | 0.76 | — | — | |
| SCHEMBL26422008 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL10865085 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL24170082 | 0.72 | — | — | |
| SCHEMBL13049303 | 0.72 | — | — | |
| SCHEMBL24897451 | 0.72 | — | — | |
| SCHEMBL28540509 | 0.72 | CHRM2 (0.33) | — | |
| SCHEMBL16848016 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL17111244 | 0.71 | CHRM2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4537616-A | Herbicidal 2,6-dioxocyclohexylidene derivatives | UNION CARBIDE CORPORATION (US) | 1985-08-27 | — | — | US | disclosed |
| US-3969392-A | PARASITICIDE, BACTERICIDE, ANTIINFLAMMATORY, SURFACTANT | E. R. SQUIBB & SONS, INC. (US) | 1976-07-13 | — | — | US | disclosed |
| US-3935230-A | α, α, α, α', α', α'-Hexafluorodi-m-tolylamine derivatives | E. R. SQUIBB & SONS, INC. (US) | 1976-01-27 | — | — | US | disclosed |