⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6771911 | 0.79 | CA2 (0.34) | — | |
| SCHEMBL2292635 | 0.77 | — | — | |
| SCHEMBL5367353 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL7281736 | 0.70 | HTT (0.31) | — | |
| SCHEMBL2365232 | 0.69 | CA2 (0.38) | — | |
| SCHEMBL3689361 | 0.68 | VCAM1 (0.35) | — | |
| SCHEMBL28342485 | 0.68 | — | — | |
| Bromoethane SCHEMBL27514217 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL1415048 | 0.66 | LMNA (0.34) | — | |
| SCHEMBL4677041 | 0.66 | CA2 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536745-A | (Hetero)-aryl ketones derivatives with antibacterial properties | SMITHKLINE BEECHAM P.L.C. (GB) | 1996-07-16 | — | — | US | disclosed |
| EP-0652875-A1 | (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1995-05-17 | — | — | EP | disclosed |
| WO-1994002478-A1 | (HETERO)-ARYL KETONES DERIVATIVES WITH ANTIBACTERIAL PROPERTIES | SMITHKLINE BEECHAM PLC (GB) | 1994-02-03 | — | — | WO | disclosed |