⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11710681 | 0.71 | — | — | |
| SCHEMBL7872245 | 0.67 | — | — | |
| SCHEMBL14178932 | 0.67 | — | — | |
| SCHEMBL10893236 | 0.65 | — | — | |
| SCHEMBL7870985 | 0.65 | — | — | |
| SCHEMBL24769989 | 0.63 | — | — | |
| SCHEMBL9726152 | 0.63 | — | — | |
| SCHEMBL17728713 | 0.61 | — | — | |
| SCHEMBL8950519 | 0.61 | — | — | |
| SCHEMBL13077572 | 0.61 | — | — |
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-2021028806-A1 | HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS | NOVARTIS AG (CH) | 2021-02-18 | — | — | WO | disclosed |