⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13118766 | 0.86 | GABBR2 (0.35) | — | |
| SCHEMBL9407525 | 0.85 | TSHR (0.33) | — | |
| SCHEMBL13100404 | 0.80 | — | — | |
| SCHEMBL11624602 | 0.80 | — | — | |
| SCHEMBL11089087 | 0.80 | — | — | |
| SCHEMBL9192134 | 0.79 | GABBR2 (0.42) | — | |
| SCHEMBL1634844 | 0.78 | — | — | |
| SCHEMBL11168256 | 0.78 | — | — | |
| SCHEMBL9323831 | 0.76 | GABBR2 (0.40) | — | |
| SCHEMBL9323883 | 0.76 | GABBR2 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2629607-A2 | ANTIMICROBIAL POLYETHER AND POLYOL COMPOUNDS | NovaBay Pharmaceuticals, Inc. (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2012054521-A2 | ANTIMICROBIAL POLYETHER AND POLYOL COMPOUNDS | NOVABAY PHARMACEUTICLAS, INC. (US) | 2012-04-26 | — | — | WO | disclosed |
| EP-0002722-B1 | CATIONIC EMULSIFIERS, THEIR USE FOR THE PREPARATION OF EMULSIONS OF HYDROCARBONS AND THEIR USE FOR TREATING TEXTILES | BAYER AG (DE) | 1980-09-17 | — | — | EP | disclosed |
| EP-0002722-A1 | Cationic emulsifiers, their use for the preparation of emulsions of hydrocarbons and their use for treating textiles | BAYER AG (DE) | 1979-07-11 | — | — | EP | disclosed |