⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6110196 | 0.88 | — | — | |
| SCHEMBL6108872 | 0.79 | MEN1 (0.47) | — | |
| SCHEMBL6108868 | 0.79 | MEN1 (0.47) | — | |
| SCHEMBL15196136 | 0.79 | — | — | |
| SCHEMBL6109244 | 0.77 | EPHX2 (0.51) | — | |
| SCHEMBL12889483 | 0.77 | SLC1A3 (0.41) | — | |
| SCHEMBL7615385 | 0.77 | SLC1A3 (0.41) | — | |
| SCHEMBL6111209 | 0.77 | — | — | |
| SCHEMBL6108363 | 0.77 | PDF (0.43) | — | |
| SCHEMBL6112164 | 0.77 | FPR2 (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-20060172990-A1 | Antibacterial agents | VERNALIS (OXFORD) LTD. (GB) | 2006-08-03 | — | — | US | disclosed |