⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20837321 | 0.85 | — | — | |
| SCHEMBL4446713 | 0.72 | — | — | |
| SCHEMBL10385314 | 0.70 | — | — | |
| SCHEMBL19452174 | 0.70 | — | — | |
| SCHEMBL1155373 | 0.68 | CYP3A4 (0.31) | — | |
| SCHEMBL1681778 | 0.68 | CYP3A4 (0.31) | — | |
| SCHEMBL13646404 | 0.68 | CYP3A4 (0.31) | — | |
| SCHEMBL1668401 | 0.67 | — | — | |
| SCHEMBL6311729 | 0.67 | — | — | |
| SCHEMBL17177648 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070061084-A1 | Method, system, and knowledge repository for identifying a secondary metabolite from a microorganism | ECOPIA BIOSCIENCES, INC. | 2007-03-15 | — | — | US | disclosed |