⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22906215 | 0.85 | NOTUM (0.37) | — | |
| SCHEMBL19262485 | 0.79 | — | — | |
| SCHEMBL20652855 | 0.79 | — | — | |
| SCHEMBL20670622 | 0.78 | GGPS1 (0.31) | — | |
| SCHEMBL11955225 | 0.77 | GABRA2 (0.31) | — | |
| SCHEMBL19262495 | 0.76 | — | — | |
| SCHEMBL19154421 | 0.76 | — | — | |
| SCHEMBL25500585 | 0.76 | — | — | |
| SCHEMBL22826930 | 0.76 | NOTUM (0.36) | — | |
| SCHEMBL27420039 | 0.75 | MIF (0.39) | — |
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-2020214555-A1 | BIFUNCTIONAL COMPOUNDS COMPRISING APCIN-A AND THEIR USE IN THE TREATMENT OF CANCER | NORTHWESTERN UNIVERSITY (US) | 2020-10-22 | — | — | WO | disclosed |