⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9013515 | 0.77 | — | — | |
| SCHEMBL6053437 | 0.74 | — | — | |
| SCHEMBL9769112 | 0.73 | — | — | |
| SCHEMBL436664 | 0.73 | — | — | |
| SCHEMBL6601475 | 0.72 | — | — | |
| SCHEMBL18382242 | 0.72 | — | — | |
| SCHEMBL11213292 | 0.72 | — | — | |
| SCHEMBL28145090 | 0.70 | CALM1 (0.44) | — | |
| SCHEMBL10941455 | 0.69 | — | — | |
| SCHEMBL14080456 | 0.68 | L3MBTL1 (0.53) | — |
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 |