⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24426136 | 0.73 | — | — | |
| SCHEMBL7825892 | 0.61 | — | — | |
| SCHEMBL7826998 | 0.60 | INMT (0.34) | — | |
| Propane SCHEMBL28837493 | 0.59 | — | — | |
| Propylamine SCHEMBL28249584 | 0.56 | DNM1 (0.30) | — | |
| Cyclohexene SCHEMBL4925350 | 0.56 | — | — | |
| Alcohol SCHEMBL3332380 | 0.55 | ALDH1A1 (0.40) | — | |
| Alcohol SCHEMBL9632135 | 0.55 | ALDH1A1 (0.40) | — | |
| Cyclooctene SCHEMBL1536237 | 0.55 | ALDH1A1 (0.40) | — | |
| Cyclohexene SCHEMBL28306439 | 0.53 | — | — |
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 |