⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2623161 | 0.81 | — | — | |
| SCHEMBL51447 | 0.81 | — | — | |
| SCHEMBL28569827 | 0.78 | POLB (0.46) | — | |
| Hydrochloric Acid SCHEMBL5909839 | 0.78 | POLB (0.46) | — | |
| Methyl Alcohol SCHEMBL28197604 | 0.76 | POLB (0.43) | — | |
| SCHEMBL104786 | 0.74 | — | — | |
| SCHEMBL786227 | 0.74 | — | — | |
| SCHEMBL30350717 | 0.74 | — | — | |
| SCHEMBL5697745 | 0.74 | — | — | |
| SCHEMBL10521187 | 0.73 | CES2 (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120095014-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-04-19 | — | — | US | disclosed |
| US-8129399-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-06 | — | — | US | disclosed |
| US-7820685-B2 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-26 | — | — | US | disclosed |
| US-20090181938-A1 | AMINOPYRIMIDINES USEFUL AS KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-07-16 | — | — | US | disclosed |
| US-20080032963-A1 | Aminopyrimidines useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-02-07 | — | — | US | disclosed |