⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL722595 | 0.69 | CYP2A6 (0.56) | — | |
| SCHEMBL113923 | 0.69 | — | — | |
| SCHEMBL20273158 | 0.67 | — | — | |
| SCHEMBL3084000 | 0.67 | — | — | |
| SCHEMBL2963807 | 0.67 | — | — | |
| SCHEMBL14640117 | 0.66 | CYP2A6 (0.52) | — | |
| SCHEMBL13470094 | 0.65 | — | — | |
| SCHEMBL11965079 | 0.65 | — | — | |
| SCHEMBL2961814 | 0.65 | — | — | |
| SCHEMBL4615951 | 0.65 | — | — |
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-2012029942-A1 | CYCLIC AMIDE DERIVATIVE | 大日本住友製薬株式会社 (JP) | 2012-03-08 | — | — | WO | disclosed |
| WO-2012003482-A2 | HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (II) | PLEXTRONICS, INC. (US) | 2012-01-05 | — | — | WO | disclosed |
| US-20080251784-A1 | Organic Semiconductor Material, Organic Transistor, Field Effect Transistor, Switching Device and Thiazole Compound | EDISON INNOVATIONS LLC | 2008-10-16 | — | — | US | disclosed |
| EP-1820504-A1 | IMINE COMPOUND | TAISHO PHARMACEUTICAL CO., LTD (JP) | 2007-08-22 | — | — | EP | disclosed |
| WO-2006116157-A9 | DIPEPTIDYL PEPTIDASE-IV INHIBITORS | ALANTOS PHARMACEUTICALS INC (US) | 2007-03-01 | — | — | WO | disclosed |
| WO-2006116157-A2 | DIPEPTIDYL PEPTIDASE-IV INHIBITORS | ALANTOS PHARMACEUTICALS HOLDING, INC. (US) | 2006-11-02 | — | — | WO | disclosed |