⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL6979688 | 0.89 | LDHA (0.38) | — | |
| SCHEMBL819956 | 0.73 | LDHA (0.53) | — | |
| SCHEMBL28934980 | 0.73 | LDHA (0.53) | — | |
| SCHEMBL4377852 | 0.73 | — | — | |
| SCHEMBL27563886 | 0.73 | — | — | |
| SCHEMBL180823 | 0.71 | — | — | |
| SCHEMBL37772 | 0.71 | LDHA (0.50) | — | |
| SCHEMBL31290754 | 0.71 | MGAM (0.58) | — | |
| SCHEMBL10391174 | 0.71 | LDHA (0.50) | — | |
| SCHEMBL2587467 | 0.71 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257551-B1 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-04-10 | — | — | EP | disclosed |
| US-8349828-B2 | Azatricyclic antibiotic compounds | ACTELION PHARMACEUTICALS LTD. (CH) | 2013-01-08 | — | — | US | disclosed |
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| US-20100331318-A1 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD. (CH) | 2010-12-30 | — | — | US | disclosed |
| EP-2257551-A2 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | Actelion Pharmaceuticals Ltd. (CH) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009104147-A2 | AZATRICYCLIC ANTIBIOTIC COMPOUNDS | ACTELION PHARMACEUTICALS LTD (CH) | 2009-08-27 | — | — | WO | disclosed |
| EP-0618189-B1 | Iodinated aromatic propanedioates and their use as X-ray contrast agents | NANOSYSTEMS LLC (US) | 1997-06-04 | — | — | EP | disclosed |
| US-5364876-A | Tranquilizers, analgesics, learning enhancement | GUILFORD PHARMACEUTICALS INC. (US) | 1994-11-15 | — | — | US | disclosed |
| EP-0618189-A1 | Iodinated aromatic propanedioates and their use as X-ray contrast agents | NanoSystems L.L.C. (US) | 1994-10-05 | — | — | EP | disclosed |
| US-5328404-A | Contrast agents | STERLING WINTHROP INC. (US) | 1994-07-12 | — | — | US | disclosed |
| US-5264610-A | X-ray contrast agents | STERLING WINTHROP INC. (US) | 1993-11-23 | — | — | US | disclosed |
| US-4013714-A | SUBSTITUTED BIS-(DICARBOXYMETHYL)-ETHERS | MONSANTO COMPANY (US) | 1977-03-22 | — | — | US | disclosed |