⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5453106 | 0.89 | — | — | |
| SCHEMBL2255665 | 0.87 | — | — | |
| SCHEMBL18023289 | 0.83 | — | — | |
| SCHEMBL2255668 | 0.83 | — | — | |
| SCHEMBL1095740 | 0.83 | — | — | |
| SCHEMBL402831 | 0.82 | — | — | |
| SCHEMBL4868142 | 0.81 | HDAC3 (0.43) | — | |
| SCHEMBL12056173 | 0.81 | HDAC3 (0.43) | — | |
| SCHEMBL1105625 | 0.81 | HDAC3 (0.43) | — | |
| SCHEMBL401607 | 0.81 | HDAC3 (0.43) | — |
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-20070244197-A1 | Antibacterial agents | UNIVERSITY OF WASHINGTON (US) | 2007-10-18 | — | — | US | disclosed |