⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL28380595 | 1.00 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL157881 | 1.00 | — | — | |
| Isopropyl Alcohol SCHEMBL3680075 | 1.00 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL29164092 | 1.00 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL22773 | 1.00 | — | — | |
| Isopropyl Alcohol SCHEMBL42097 | 1.00 | ALDH1A1 (0.86) | — | |
| Isopropyl Alcohol SCHEMBL17802536 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL3349802 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL5815842 | 0.94 | — | — | |
| Isopropyl Alcohol SCHEMBL4959713 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1331397-C | Bi-dodecyl double quaternary ammonium salt iodine attached bactericide | HARBIN INST OF TECHNOLOGY (CN) | 2007-08-15 | — | — | CN | disclosed |
| US-5529621-A | ORGANIC SALT OF POLYAMINE WITH CARBOXYLIC ACID; ROOFING, UNDERCOATINGS | SURFACE CHEMISTS OF FLORIDA INC. (US) | 1996-06-25 | — | — | US | disclosed |
| EP-0411111-A1 | AMMONIUM COMPOUND, COMPOSITION CONTAINING IT AND DESINFECTION METHOD. | FABRICOM AIR CONDITIONING SA (BE) | 1991-02-06 | — | — | EP | disclosed |