⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13618608 | 0.67 | — | — | |
| SCHEMBL166691 | 0.67 | — | — | |
| SCHEMBL166692 | 0.67 | — | — | |
| SCHEMBL737383 | 0.64 | — | — | |
| SCHEMBL9908210 | 0.64 | — | — | |
| SCHEMBL20411683 | 0.64 | — | — | |
| SCHEMBL17449671 | 0.62 | — | — | |
| SCHEMBL2783943 | 0.61 | — | — | |
| SCHEMBL20411628 | 0.61 | — | — | |
| SCHEMBL7120264 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9595727-B2 | Electrochemical device comprising an electrically-conductive, selectively-permeable membrane | GINER, INC. (US) | 2017-03-14 | — | — | US | disclosed |
| EP-2960342-A1 | INFLAMMATORY BOWEL DISEASE PROGNOSTICS | Nestec S.A. (CH) | 2015-12-30 | — | — | EP | disclosed |