⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20255427 | 0.85 | — | — | |
| SCHEMBL23971492 | 0.81 | PAOX (0.41) | — | |
| SCHEMBL25815929 | 0.80 | — | — | |
| SCHEMBL4397702 | 0.78 | — | — | |
| SCHEMBL13636324 | 0.78 | — | — | |
| SCHEMBL21622179 | 0.76 | — | — | |
| SCHEMBL24978516 | 0.73 | — | — | |
| SCHEMBL22213391 | 0.72 | — | — | |
| SCHEMBL13520923 | 0.72 | FAAH (0.52) | — | |
| SCHEMBL5693389 | 0.72 | KMT2A (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200048223-A1 | WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF | Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) | 2020-02-13 | — | — | US | disclosed |