⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL856648 | 1.00 | — | — | |
| SCHEMBL98248 | 0.84 | — | — | |
| SCHEMBL95760 | 0.82 | — | — | |
| SCHEMBL16611651 | 0.82 | — | — | |
| SCHEMBL748737 | 0.76 | — | — | |
| SCHEMBL16612021 | 0.74 | — | — | |
| SCHEMBL457490 | 0.72 | — | — | |
| SCHEMBL6119166 | 0.72 | — | — | |
| SCHEMBL20261464 | 0.72 | — | — | |
| SCHEMBL15701551 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3728257-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | Fronthera U.S. Pharmaceuticals LLC (US) | 2020-10-28 | — | — | EP | disclosed |
| WO-2019228403-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | FRONTHERA U.S. PHARMACEUTICALS LLC (US) | 2019-12-05 | — | — | WO | disclosed |