⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14065802 | 0.95 | — | — | |
| SCHEMBL15976131 | 0.95 | — | — | |
| SCHEMBL20842472 | 0.86 | — | — | |
| SCHEMBL19791087 | 0.83 | — | — | |
| SCHEMBL14820668 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL14070599 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL23048267 | 0.83 | THRB (0.33) | — | |
| SCHEMBL12144208 | 0.74 | ALDH1A1 (0.55) | — | |
| SCHEMBL20101113 | 0.74 | — | — | |
| Oxygen SCHEMBL7534336 | 0.74 | ALDH1A1 (0.37) | — |
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-3279301-A1 | WATER-SOLUBLE UNIT DOSE ARTICLE COMPRISING A CLEANING AMINE | The Procter & Gamble Company (US) | 2018-02-07 | — | — | EP | disclosed |
| WO-2015200706-A1 | OXETANE POLYMERS AND METHODS OF PREPARATION THEREOF | RENSSELAER POLYTECHNIC INSTITUTE (US) | 2015-12-30 | — | — | WO | disclosed |
| US-8815054-B2 | Methods for making fibrous paper structures utilizing waterborne shape memory polymers | THE PROCTER & GAMBLE COMPANY (US) | 2014-08-26 | — | — | US | disclosed |