⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13515005 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL19011994 | 0.78 | — | — | |
| SCHEMBL15289245 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL19072374 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL19011990 | 0.78 | — | — | |
| SCHEMBL24621364 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL8306284 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL15289259 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL13636513 | 0.78 | EPHX1 (0.33) | — | |
| SCHEMBL19011989 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3287462-A1 | ISOSORBIDE DERIVATIVES TO TREAT BACTERIAL BIOFILMS | NITTO DENKO CORPORATION (JP) | 2018-02-28 | — | — | EP | disclosed |