⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22259781 | 0.68 | MEN1 (0.36) | — | |
| SCHEMBL22259734 | 0.52 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL13450791 | 0.51 | KDM4E (0.41) | — | |
| SCHEMBL22236262 | 0.50 | TP53 (0.37) | — | |
| SCHEMBL13444589 | 0.50 | ACHE (0.46) | — | |
| SCHEMBL22236064 | 0.49 | TP53 (0.39) | — | |
| SCHEMBL28992943 | 0.49 | ALOX15 (0.46) | — | |
| Acetic Acid SCHEMBL28531368 | 0.49 | ALOX15 (0.44) | — | |
| SCHEMBL12533981 | 0.48 | KMT2A (0.64) | — | |
| SCHEMBL29101890 | 0.48 | DHFR (0.43) | — |
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-2020150366-A1 | SUBSTITUTED POLYCYCLIC CARBOXYLIC ACIDS, ANALOGUES THEREOF, AND METHODS USING SAME | ARBUTUS BIOPHARMA CORPORATION (CA) | 2020-07-23 | — | — | WO | disclosed |