⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11574005 | 1.00 | — | — | |
| SCHEMBL8774 | 0.96 | — | — | |
| Water SCHEMBL28042147 | 0.93 | — | — | |
| Methoxymethane SCHEMBL22364221 | 0.93 | — | — | |
| Fluoride SCHEMBL27419303 | 0.93 | — | — | |
| SCHEMBL28859283 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28000050 | 0.93 | — | — | |
| Hexane SCHEMBL8140309 | 0.93 | CYP3A4 (0.48) | — | |
| Water SCHEMBL27927486 | 0.93 | CYP3A4 (0.48) | — | |
| Ammonia Solution, Strong SCHEMBL265948 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0479908-A4 | IMPROVED AQUEOUS CLEANER/DEGREASER COMPOSITIONS | — | 1992-06-17 | — | — | EP | disclosed |
| EP-0479908-A1 | IMPROVED AQUEOUS CLEANER/DEGREASER COMPOSITIONS. | BUCKEYE INT (US) | 1992-04-15 | — | — | EP | disclosed |
| WO-1991000336-A1 | IMPROVED AQUEOUS CLEANER/DEGREASER COMPOSITIONS | BUCKEYE INTERNATIONAL, INC. (US) | 1991-01-10 | — | — | WO | disclosed |