⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10276726 | 1.00 | — | — | |
| SCHEMBL24658382 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10276462 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1438771 | 0.97 | — | — | |
| SCHEMBL6215601 | 0.83 | ALDH1A1 (0.32) | — | |
| Ether SCHEMBL7265352 | 0.80 | SLC1A3 (0.30) | — | |
| SCHEMBL12826500 | 0.78 | — | — | |
| SCHEMBL21639904 | 0.78 | — | — | |
| SCHEMBL5025915 | 0.78 | — | — | |
| SCHEMBL13071384 | 0.77 | USP2 (0.52) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8865726-B2 | Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors | ARRAY BIOPHARMA INC. (US) | 2014-10-21 | — | — | US | disclosed |
| US-20120178715-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2012-07-12 | — | — | US | disclosed |
| WO-2011029027-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-03-10 | — | — | WO | disclosed |
| US-7872004-B2 | 6-(heterocyclyl-substituted benzyl)-4-oxoquinoline compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2011-01-18 | — | — | US | disclosed |
| US-7872004-B2 | 6-(heterocyclyl-substituted benzyl)-4-oxoquinoline compound and use thereof as HIV integrase inhibitor | JAPAN TOBACCO INC. (JP) | 2011-01-18 | — | — | US | disclosed |
| EP-2033954-A1 | 6-(HETEROCYCLE-SUBSTITUTED BENZYL)-4-OXOQUINOLINE COMPOUND AND USE OF THE SAME AS HIV INTEGRASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2009-03-11 | — | — | EP | disclosed |
| US-20080207618-A1 | 6- (Heterocyclyl-substituted Benzyl) -4-Oxoquinoline Compound and Use Thereof as HIV Integrase Inhibitor | JAPAN TOBACCO INC. (JP) | 2008-08-28 | — | — | US | disclosed |
| US-20080207618-A1 | 6- (Heterocyclyl-substituted Benzyl) -4-Oxoquinoline Compound and Use Thereof as HIV Integrase Inhibitor | JAPAN TOBACCO INC. (JP) | 2008-08-28 | — | — | US | disclosed |