⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15150018 | 1.00 | — | — | |
| SCHEMBL13594449 | 0.75 | — | — | |
| SCHEMBL10074740 | 0.74 | — | — | |
| SCHEMBL15150022 | 0.74 | — | — | |
| SCHEMBL13453019 | 0.74 | — | — | |
| SCHEMBL20125484 | 0.67 | — | — | |
| SCHEMBL2261878 | 0.65 | IDO1 (0.35) | — | |
| SCHEMBL15149745 | 0.64 | — | — | |
| SCHEMBL8300087 | 0.63 | — | — | |
| SCHEMBL14267433 | 0.61 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-1635641-B1 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-03-25 | — | — | EP | disclosed |
| US-7427637-B2 | Mitotic kinesin inhibitors | MERCK & CO. INC. (US) | 2008-09-23 | — | — | US | disclosed |
| EP-1635641-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2006-12-20 | — | — | EP | disclosed |
| US-20060142278-A1 | Mitotic kinesin inhibitors | MERCK SHARP & DOHME CORP. | 2006-06-29 | — | — | US | disclosed |
| EP-1635641-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004112699-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2004-12-29 | — | — | WO | disclosed |