⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL873664 | 0.78 | — | — | |
| SCHEMBL874397 | 0.73 | — | — | |
| SCHEMBL4041370 | 0.73 | — | — | |
| SCHEMBL23075170 | 0.72 | — | — | |
| SCHEMBL3382967 | 0.72 | — | — | |
| SCHEMBL236665 | 0.72 | — | — | |
| SCHEMBL7297658 | 0.71 | ALDH1A1 (0.52) | — | |
| SCHEMBL10271786 | 0.69 | CTDSP1 (0.33) | — | |
| SCHEMBL23075247 | 0.69 | CTDSP1 (0.30) | — | |
| SCHEMBL16569116 | 0.69 | CTDSP1 (0.30) | — |
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 |