⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22829340 | 0.64 | — | — | |
| SCHEMBL22440281 | 0.59 | — | — | |
| SCHEMBL207437 | 0.57 | — | — | |
| SCHEMBL9384920 | 0.54 | — | — | |
| SCHEMBL20719508 | 0.51 | — | — | |
| SCHEMBL9936112 | 0.50 | — | — | |
| SCHEMBL30600189 | 0.50 | — | — | |
| SCHEMBL130191 | 0.48 | — | — | |
| SCHEMBL19406932 | 0.47 | — | — | |
| SCHEMBL1204949 | 0.45 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8829011-B2 | 2-aminopyrimidine compounds as serotonin receptor modulators | JANSSEN PHARMACEUTICA NV (BE) | 2014-09-09 | — | — | US | disclosed |
| US-20110207717-A1 | 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-08-25 | — | — | US | disclosed |