⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL9461213 | 0.80 | CA2 (0.43) | — | |
| Butane SCHEMBL4058877 | 0.77 | — | — | |
| SCHEMBL642627 | 0.75 | — | — | |
| SCHEMBL27766663 | 0.75 | KDM4E (0.61) | — | |
| SCHEMBL35435 | 0.75 | — | — | |
| SCHEMBL2776797 | 0.74 | — | — | |
| SCHEMBL4587636 | 0.72 | KDM4E (0.57) | — | |
| SCHEMBL16816929 | 0.72 | — | — | |
| SCHEMBL707046 | 0.72 | — | — | |
| SCHEMBL3061460 | 0.72 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612075-B2 | Substituted oxoazaheterocyclyl compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2009-11-03 | — | — | US | disclosed |
| EP-1051176-B1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARMA INC (US) | 2006-11-22 | — | — | EP | disclosed |
| US-20040102450-A1 | Substituted oxoazaheterocyclyl compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2004-05-27 | — | — | US | disclosed |
| EP-1051176-A4 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARM PROD INC (US) | 2002-06-12 | — | — | EP | disclosed |
| EP-1208097-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | Aventis Pharmaceuticals Inc. (US) | 2002-05-29 | — | — | EP | disclosed |
| WO-2001007436-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-02-01 | — | — | WO | disclosed |
| EP-1051176-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | Aventis Pharmaceuticals Products Inc. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-2000032590-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 2000-06-08 | — | — | WO | disclosed |
| WO-1999037304-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-07-29 | — | — | WO | disclosed |
| EP-0570380-A1 | NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES | LEIRAS OY (FI) | 1993-11-24 | — | — | EP | disclosed |
| US-5254430-A | Lithographic printing plates | FUJI PHOTO FILM CO., LTD. (JP) | 1993-10-19 | — | — | US | disclosed |
| WO-1992011268-A1 | NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES | LEIRAS OY (FI) | 1992-07-09 | — | — | WO | disclosed |
| US-4136175-A | PURINE NUCLEOTIDE ANTIVERAL COMPOSITION AND METHODS OF USE | BURROUGHS WELLCOME CO. (US) | 1979-01-23 | — | — | US | disclosed |
| US-3980644-A | EXTRACTION WITH CYCLOHEXANONE | ELI LILLY AND COMPANY (US) | 1976-09-14 | — | — | US | disclosed |