⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13669535 | 1.00 | — | — | |
| SCHEMBL276710 | 0.78 | TSHR (0.38) | — | |
| SCHEMBL27391455 | 0.77 | — | — | |
| SCHEMBL22651966 | 0.77 | — | — | |
| SCHEMBL1002376 | 0.77 | — | — | |
| SCHEMBL15499155 | 0.77 | — | — | |
| SCHEMBL18492843 | 0.77 | — | — | |
| SCHEMBL20624684 | 0.76 | — | — | |
| SCHEMBL4268119 | 0.75 | — | — | |
| SCHEMBL15442824 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9303058-B2 | Betulonic and betulinic acid derivatives | Leunis, Jean-Claude (BE) | 2016-04-05 | — | — | US | disclosed |
| EP-1999139-B1 | BETULONIC ACID ESTERS AND BETULINIC ACID POLYALKYLENE-GLYCOL DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTION AND CANCER | LEUNIS JEAN-CLAUDE (BE) | 2014-08-20 | — | — | EP | disclosed |
| US-20140066416-A1 | BETULONIC AND BETULINIC ACID DERIVATIVES | Leunis, Jean-Claude (BE) | 2014-03-06 | — | — | US | disclosed |