⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24866119 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL23264048 | 0.69 | — | — | |
| SCHEMBL15331437 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL13741275 | 0.68 | — | — | |
| SCHEMBL21737453 | 0.66 | — | — | |
| SCHEMBL21414017 | 0.66 | — | — | |
| SCHEMBL18481428 | 0.66 | — | — | |
| SCHEMBL20260889 | 0.66 | — | — | |
| SCHEMBL2187079 | 0.63 | ALDH1A1 (0.31) | — | |
| SCHEMBL179481 | 0.59 | KDM5B (0.33) | — |
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-2019102494-A1 | HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS | JUBILANT BIOSYS LIMITED (IN) | 2019-05-31 | — | — | WO | disclosed |