⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5498757 | 0.93 | GSR (0.64) | — | |
| SCHEMBL1128804 | 0.93 | GSR (0.64) | — | |
| SCHEMBL997947 | 0.93 | GSR (0.64) | — | |
| SCHEMBL5495676 | 0.84 | — | — | |
| SCHEMBL5498700 | 0.84 | — | — | |
| SCHEMBL5501913 | 0.84 | — | — | |
| SCHEMBL9579113 | 0.78 | — | — | |
| SCHEMBL1330956 | 0.78 | GSR (0.58) | — | |
| SCHEMBL7771462 | 0.78 | — | — | |
| D-Ornithine SCHEMBL43724 | 0.77 | — | — |
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 |