⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL649682 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL5885407 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL679947 | 0.73 | HRH3 (0.47) | — | |
| SCHEMBL16853360 | 0.73 | GFER (0.47) | — | |
| SCHEMBL10049612 | 0.73 | GFER (0.47) | — | |
| SCHEMBL13227358 | 0.73 | ALDH1A1 (0.47) | — | |
| SCHEMBL284077 | 0.71 | — | — | |
| SCHEMBL883553 | 0.71 | — | — | |
| SCHEMBL10064152 | 0.71 | — | — | |
| SCHEMBL16716676 | 0.69 | PTGS1 (0.47) | — |
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-3187492-A1 | PYRIMIDINONE DERIVATIVE HAVING AUTOTAXIN-INHIBITORY ACTIVITY | The University of Tokyo (JP) | 2017-07-05 | — | — | EP | disclosed |
| WO-2015082592-A2 | METHOD FOR PREPARING AMINOARYLBORANE COMPOUNDS OR DERIVATIVES THEREOF | Universite de Bordeaux (FR) | 2015-06-11 | — | — | WO | disclosed |