⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27480429 | 0.72 | — | — | |
| SCHEMBL4192979 | 0.72 | — | — | |
| SCHEMBL9016289 | 0.67 | — | — | |
| SCHEMBL7731787 | 0.67 | — | — | |
| SCHEMBL11011278 | 0.67 | — | — | |
| SCHEMBL13404016 | 0.67 | — | — | |
| SCHEMBL411718 | 0.67 | — | — | |
| SCHEMBL593609 | 0.67 | — | — | |
| SCHEMBL592248 | 0.67 | — | — | |
| SCHEMBL7925429 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3130594-B1 | PHOSPHONATES OF ACETYLENIC BETULIN DERIVATIVES WITH ANTICANCER ACTIVITY, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATION | SLASKI UNIV MEDYCZNY W KATOWICACH (PL) | 2020-11-11 | — | — | EP | claimed |
| EP-3130594-A1 | PHOSPHONATES OF ACETYLENIC BETULIN DERIVATIVES WITH ANTICANCER ACTIVITY, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATION | Slaski Uniwersytet Medyczny w Katowicach (PL) | 2017-02-15 | — | — | EP | claimed |
| EP-3130594-B1 | PHOSPHONATES OF ACETYLENIC BETULIN DERIVATIVES WITH ANTICANCER ACTIVITY, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATION | SLASKI UNIV MEDYCZNY W KATOWICACH (PL) | 2020-11-11 | — | — | EP | disclosed |
| EP-3130594-A1 | PHOSPHONATES OF ACETYLENIC BETULIN DERIVATIVES WITH ANTICANCER ACTIVITY, METHOD FOR THEIR PRODUCTION AND THEIR APPLICATION | Slaski Uniwersytet Medyczny w Katowicach (PL) | 2017-02-15 | — | — | EP | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |