⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23288632 | 0.76 | — | — | |
| SCHEMBL14457954 | 0.75 | — | — | |
| SCHEMBL21522943 | 0.70 | — | — | |
| Naphthalene SCHEMBL966285 | 0.69 | — | — | |
| SCHEMBL28726143 | 0.66 | — | — | |
| SCHEMBL10906046 | 0.64 | — | — | |
| SCHEMBL15367730 | 0.62 | — | — | |
| SCHEMBL8349965 | 0.62 | — | — | |
| SCHEMBL12856119 | 0.60 | — | — | |
| SCHEMBL15279082 | 0.60 | — | — |
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 |