⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21098386 | 1.00 | — | — | |
| SCHEMBL21098138 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL21582884 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL21098656 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL5481927 | 0.69 | — | — | |
| SCHEMBL804979 | 0.69 | — | — | |
| SCHEMBL15062108 | 0.69 | — | — | |
| SCHEMBL772885 | 0.69 | — | — | |
| SCHEMBL9197226 | 0.69 | — | — | |
| SCHEMBL15494142 | 0.65 | KDM4E (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1436286-B1 | FUMAGILLOL DERIVATIVES AND PREPARING METHOD THEREOF | EQUISPHARM CO LTD (KR) | 2009-08-19 | — | — | EP | disclosed |