⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2237272 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL17456066 | 0.75 | CTSS (0.46) | — | |
| SCHEMBL1755523 | 0.72 | CYP2C9 (0.38) | — | |
| SCHEMBL605269 | 0.70 | MEN1 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL22382525 | 0.70 | HDAC3 (0.34) | — | |
| SCHEMBL17641539 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL246225 | 0.70 | MEN1 (0.34) | — | |
| SCHEMBL1963990 | 0.69 | HPGD (0.42) | — | |
| Bicarbonate SCHEMBL4130664 | 0.69 | MEN1 (0.33) | — | |
| Methyl Alcohol SCHEMBL27842799 | 0.69 | MEN1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797110-B1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AICURIS GMBH & CO KG (DE) | 2011-01-12 | — | — | EP | disclosed |
| US-7446102-B2 | Antibacterial amide macrocycles IV | AICURIS GMBH & CO. KG (DE) | 2008-11-04 | — | — | US | disclosed |
| US-20080076745-A1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AICURIS GMBH & CO. KG (DE) | 2008-03-27 | — | — | US | disclosed |
| EP-1797110-A1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AiCuris GmbH & Co. KG (DE) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006034786-A1 | ANTIBACTERIAL AMIDE MACROCYCLES IV | AICURIS GMBH & CO.KG (DE) | 2006-04-06 | — | — | WO | disclosed |