⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23978663 | 0.88 | KDM5A (0.31) | — | |
| SCHEMBL22645170 | 0.85 | — | — | |
| SCHEMBL19308504 | 0.77 | PDE10A (0.32) | — | |
| SCHEMBL19362478 | 0.72 | — | — | |
| SCHEMBL20666012 | 0.71 | — | — | |
| SCHEMBL25584585 | 0.70 | — | — | |
| SCHEMBL24879009 | 0.69 | ACVR2A (0.33) | — | |
| SCHEMBL12508935 | 0.68 | — | — | |
| SCHEMBL22255221 | 0.68 | — | — | |
| SCHEMBL14187617 | 0.66 | LMNA (0.31) | — |
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-2021222789-A1 | INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-11-04 | — | — | WO | disclosed |