⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL6700099 | 0.98 | — | — | |
| Bromide SCHEMBL6700096 | 0.98 | — | — | |
| Methane SCHEMBL27830991 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL1846220 | 0.96 | — | — | |
| Methane SCHEMBL28028970 | 0.94 | — | — | |
| SCHEMBL27807839 | 0.92 | — | — | |
| Allylamine SCHEMBL8984860 | 0.90 | ALDH1A1 (0.35) | — | |
| Phosphoric Acid SCHEMBL4317340 | 0.87 | — | — | |
| Thiourea SCHEMBL29031905 | 0.87 | — | — | |
| SCHEMBL9819302 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004077954-A1 | ANTIMICROBIAL SOLUTION AND PROCESS | BYOCOAT ENTERPRISES, INC., (US) | 2004-09-16 | — | — | WO | disclosed |
| US-4529803-A | Reacting imidazole with an unsaturated carboxylic ester | THE DOW CHEMICAL COMPANY (US) | 1985-07-16 | — | — | US | disclosed |
| US-4267350-A | FABRIC SOFTENERS, CATIONIC AND AMPHOTERIC SURFACTANTS; ANTISTATIC AGENTS; CORROSION RESISTANCE | THE DOW CHEMICAL COMPANY (US) | 1981-05-12 | — | — | US | disclosed |