⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22305872 | 0.79 | KDM4E (0.34) | — | |
| SCHEMBL22645187 | 0.78 | — | — | |
| SCHEMBL24244468 | 0.76 | — | — | |
| SCHEMBL22645239 | 0.73 | — | — | |
| SCHEMBL22209271 | 0.73 | — | — | |
| SCHEMBL19734244 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL12524851 | 0.70 | — | — | |
| SCHEMBL23517298 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL27115917 | 0.70 | CRHBP (0.31) | — | |
| SCHEMBL26288076 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019228403-A1 | AUTOTAXIN INHIBITORS AND USES THEREOF | FRONTHERA U.S. PHARMACEUTICALS LLC (US) | 2019-12-05 | — | — | WO | disclosed |