⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3137748 | 0.82 | RXRA (0.30) | — | |
| SCHEMBL3128756 | 0.82 | PNMT (0.32) | — | |
| SCHEMBL3135318 | 0.80 | — | — | |
| SCHEMBL7576816 | 0.78 | ADRA2A (0.43) | — | |
| SCHEMBL3135307 | 0.78 | — | — | |
| SCHEMBL3135314 | 0.78 | — | — | |
| SCHEMBL7576746 | 0.75 | CA2 (0.31) | — | |
| SCHEMBL21379309 | 0.69 | — | — | |
| SCHEMBL3130831 | 0.69 | CYP19A1 (0.38) | — | |
| SCHEMBL20270050 | 0.69 | HTR2A (0.43) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1873153-B1 | 3-AZETIDINECARBOXYLIC ACID DERIVATIVES FOR USE AS IMMUNOSUPPRESSANTS | DAIICHI SANKYO CO LTD (JP) | 2010-07-07 | — | — | EP | disclosed |
| US-7687491-B2 | Heterocyclic compound | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2010-03-30 | — | — | US | disclosed |
| US-20080113961-A1 | Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2008-05-15 | — | — | US | disclosed |
| EP-1873153-A1 | HETEROCYCLIC COMPOUND | Daiichi Sankyo Company, Limited (JP) | 2008-01-02 | — | — | EP | disclosed |
| EP-1226146-A2 | QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS | ABBOTT LABORATORIES (US) | 2002-07-31 | — | — | EP | disclosed |
| US-20020049223-A1 | Quinoline and naphthyridine carboxylic acid antibacterials | ABBOTT LABORATORIES | 2002-04-25 | — | — | US | disclosed |
| WO-2001032655-A2 | QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS | ABBOTT LABORATORIES (US) | 2001-05-10 | — | — | WO | disclosed |