⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19642620 | 1.00 | — | — | |
| SCHEMBL9611232 | 0.85 | GABRR1 (0.38) | — | |
| SCHEMBL22996096 | 0.83 | — | — | |
| SCHEMBL11679787 | 0.83 | TDP1 (0.33) | — | |
| SCHEMBL15451687 | 0.80 | — | — | |
| SCHEMBL277545 | 0.80 | — | — | |
| SCHEMBL15984867 | 0.80 | — | — | |
| SCHEMBL7530282 | 0.79 | ENPEP (0.31) | — | |
| SCHEMBL28893764 | 0.78 | LMNA (0.37) | — | |
| SCHEMBL20224932 | 0.78 | — | — |
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-2021217047-A1 | EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-10-28 | — | — | WO | disclosed |