⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL822679 | 0.72 | — | — | |
| SCHEMBL21030319 | 0.70 | — | — | |
| SCHEMBL451876 | 0.68 | — | — | |
| SCHEMBL11038472 | 0.68 | — | — | |
| SCHEMBL1075418 | 0.68 | — | — | |
| SCHEMBL303908 | 0.68 | — | — | |
| SCHEMBL1772353 | 0.66 | CHRM5 (0.36) | — | |
| SCHEMBL5387391 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL13216909 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL5367529 | 0.65 | — | — |
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-2020150675-A1 | COMPOUNDS AND USES THEREOF | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |