⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23687 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL8764642 | 0.92 | MEN1 (0.44) | — | |
| Ammonia Solution, Strong SCHEMBL30925320 | 0.92 | — | — | |
| Water SCHEMBL5889074 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL78515 | 0.92 | — | — | |
| Fluoride SCHEMBL11309264 | 0.92 | — | — | |
| Deanol SCHEMBL3455341 | 0.89 | MEN1 (0.41) | — | |
| Isopropyl Alcohol SCHEMBL6561632 | 0.83 | LMNA (0.38) | — | |
| SCHEMBL10624004 | 0.83 | MEN1 (0.37) | — | |
| Urea SCHEMBL28335871 | 0.83 | LMNA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001092237-A1 | OXALINE ESTERQUATS AND THEIR USE AS SOFTENERS AND BACTERICIDES | UNICHEMA CHEMIE BV (NL) | 2001-12-06 | — | — | WO | disclosed |