⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8315684 | 0.81 | — | — | |
| SCHEMBL13473805 | 0.76 | GRM4 (0.34) | — | |
| SCHEMBL6876972 | 0.74 | — | — | |
| SCHEMBL8241577 | 0.69 | PTPN1 (0.49) | — | |
| SCHEMBL12630198 | 0.68 | CES2 (0.34) | — | |
| SCHEMBL15314726 | 0.67 | — | — | |
| SCHEMBL6879765 | 0.66 | HCAR2 (0.30) | — | |
| SCHEMBL28282579 | 0.61 | — | — | |
| SCHEMBL8367471 | 0.58 | — | — | |
| SCHEMBL12764391 | 0.56 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011005028-A2 | METHOD FOR PREPARING (S)-5-CHLORO-N-((3-(4-(5,6-DIHYDRO-4H-1,2,4-OXADIAZIN-3-YL)PHENYL)-2-OXOOXAZOLIDIN-5-YL)METHYL)THIOPHENE-2-CARBOXAMIDE DERIVATIVES | LEGOCHEM BIOSCIENCE LTD. (KR) | 2011-01-13 | — | — | WO | disclosed |
| WO-2010108651-A1 | SUBSTITUTED SPIRO-AMIDE COMPOUNDS | Grünenthal GmbH (DE) | 2010-09-30 | — | — | WO | disclosed |
| WO-2010002115-A2 | FXA INHIBITORS WITH CYCLIC AMIDOXIME OR CYCLIC AMIDRAZONE AS P4 SUBUNIT, PROCESSES FOR THEIR PREPARATIONS, AND PHARMACEUTICAL COMPOSITIONS AND DERIVATIVES THEREOF | LEGOCHEM BIOSCIENCE LTD. (KR) | 2010-01-07 | — | — | WO | disclosed |
| EP-1562939-B1 | CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2009-01-21 | — | — | EP | disclosed |
| WO-2006002099-A2 | FACTOR XA INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-01-05 | — | — | WO | disclosed |
| WO-2004046138-A1 | CARBOXAMIDES | MERCK PATENT GMBH (DE) | 2004-06-03 | — | — | WO | disclosed |