⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL955862 | 0.91 | — | — | |
| SCHEMBL951916 | 0.91 | DRD1 (0.32) | — | |
| SCHEMBL955347 | 0.89 | CYP4F2 (0.31) | — | |
| SCHEMBL952525 | 0.89 | DRD1 (0.32) | — | |
| SCHEMBL956260 | 0.81 | PDE10A (0.33) | — | |
| SCHEMBL953598 | 0.81 | DRD1 (0.31) | — | |
| SCHEMBL954973 | 0.80 | HRH3 (0.33) | — | |
| SCHEMBL952530 | 0.79 | PDE2A (0.32) | — | |
| SCHEMBL953372 | 0.79 | CYP4F2 (0.33) | — | |
| SCHEMBL953063 | 0.78 | HRH3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9139589-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-09-22 | — | — | US | disclosed |
| US-9090601-B2 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2015-07-28 | — | — | US | disclosed |
| EP-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| US-20110003807-A1 | Thiazole derivatives | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| US-20110003806-A1 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-01-06 | — | — | US | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |