⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL674965 | 0.73 | — | — | |
| SCHEMBL11466458 | 0.73 | — | — | |
| SCHEMBL15594403 | 0.67 | — | — | |
| Guanidine SCHEMBL2136925 | 0.67 | — | — | |
| Guanidine SCHEMBL5503970 | 0.67 | KDM4E (0.53) | — | |
| Guanidine SCHEMBL19458437 | 0.67 | KDM4E (0.53) | — | |
| SCHEMBL6315116 | 0.63 | — | — | |
| SCHEMBL6980698 | 0.63 | — | — | |
| SCHEMBL7088981 | 0.63 | — | — | |
| SCHEMBL424979 | 0.63 | — | — |
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-2003068807-A2 | ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-08-21 | — | — | WO | disclosed |