⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18787369 | 0.77 | FBP1 (0.33) | — | |
| SCHEMBL23611391 | 0.77 | FBP1 (0.33) | — | |
| SCHEMBL4979429 | 0.74 | — | — | |
| SCHEMBL10676122 | 0.72 | — | — | |
| SCHEMBL9853841 | 0.72 | — | — | |
| SCHEMBL10784064 | 0.72 | — | — | |
| SCHEMBL4376441 | 0.72 | — | — | |
| SCHEMBL11572551 | 0.72 | — | — | |
| SCHEMBL5065336 | 0.72 | — | — | |
| SCHEMBL10912711 | 0.70 | LDHA (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103003295-A | Intermediate for synthesizing caspofungin and preparation method therefor | UNITRIS BIOPHARMA CO LTD | 2013-03-27 | — | — | CN | disclosed |