⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8031471 | 0.78 | GPR84 (0.34) | — | |
| SCHEMBL8031338 | 0.78 | GPR84 (0.34) | — | |
| SCHEMBL7264158 | 0.78 | GPR84 (0.34) | — | |
| Hydrochloric Acid SCHEMBL29216154 | 0.77 | — | — | |
| SCHEMBL29875773 | 0.77 | GPR84 (0.33) | — | |
| SCHEMBL7717145 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL28244573 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27970784 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL235243 | 0.74 | — | — | |
| SCHEMBL4246626 | 0.73 | — | — |
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 | disclosed |