⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14070904 | 0.76 | HTR2A (0.30) | — | |
| SCHEMBL30566393 | 0.74 | CTNNB1 (0.34) | — | |
| SCHEMBL1142545 | 0.74 | CTNNB1 (0.34) | — | |
| SCHEMBL4924693 | 0.71 | HTR2A (0.32) | — | |
| SCHEMBL14070894 | 0.71 | L3MBTL1 (0.32) | — | |
| SCHEMBL22306512 | 0.70 | PARP1 (0.38) | — | |
| SCHEMBL14079585 | 0.69 | KCNH2 (0.37) | — | |
| SCHEMBL14079586 | 0.69 | HTR2A (0.30) | — | |
| SCHEMBL14070899 | 0.69 | HTR2A (0.30) | — | |
| SCHEMBL19756698 | 0.68 | CTNNB1 (0.39) | — |
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-2021220170-A1 | COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2-ALPHA AND THEIR METHODS OF USE | NOVARTIS AG (CH) | 2021-11-04 | — | — | WO | disclosed |