⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21834228 | 0.77 | FDPS (0.33) | — | |
| SCHEMBL16826823 | 0.76 | — | — | |
| SCHEMBL2650288 | 0.74 | CHRM2 (0.31) | — | |
| SCHEMBL27567761 | 0.74 | — | — | |
| SCHEMBL2652564 | 0.72 | — | — | |
| SCHEMBL27829926 | 0.72 | — | — | |
| SCHEMBL3600031 | 0.72 | OPRD1 (0.33) | — | |
| SCHEMBL27803138 | 0.72 | — | — | |
| SCHEMBL22565562 | 0.71 | GNAI3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3414827 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2417138-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | Schering Corporation (US) | 2012-02-15 | — | — | EP | disclosed |
| EP-2254666-A1 | 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2010-12-01 | — | — | EP | disclosed |
| WO-2010118207-A1 | PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AS MTOR INHIBITORS | SCHERING CORPORATION (US) | 2010-10-14 | — | — | WO | disclosed |
| WO-2009112395-A1 | 2-AMINOQUINOLINES AS 5-HT5A RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-17 | — | — | WO | disclosed |
| EP-2079727-A2 | KINASE INHIBITOR COMPOUNDS | Xcovery, INC. (US) | 2009-07-22 | — | — | EP | disclosed |
| WO-2008033562-A2 | KINASE INHIBITOR COMPOUNDS | XCOVERY, INC. (US) | 2008-03-20 | — | — | WO | disclosed |