⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14327270 | 0.84 | — | — | |
| SCHEMBL1941602 | 0.71 | — | — | |
| SCHEMBL2467076 | 0.71 | — | — | |
| Iodide SCHEMBL355090 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1694633 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1567570 | 0.69 | — | — | |
| Water SCHEMBL10902413 | 0.69 | — | — | |
| SCHEMBL1087479 | 0.67 | — | — | |
| SCHEMBL1878158 | 0.67 | — | — | |
| SCHEMBL17099967 | 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-6042750-A | TETRAALKYLAMMONIUM HALIDE, ALKYLENEDIAMINE, ALIPHATIC HYDROCARBON HYDROXY IMIDAZOLINE, POLYOXYETHYLENE GLYCOL ESTERS AND AMINES, TRIALKANOLAMINE, AND AMINE OXYALKYLATE; PIPES | Docter, Joan (US) | 2000-03-28 | — | — | US | claimed |