⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL624173 | 0.77 | — | — | |
| SCHEMBL10530939 | 0.77 | — | — | |
| SCHEMBL20958228 | 0.72 | — | — | |
| SCHEMBL15246734 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL5017396 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL388311 | 0.71 | — | — | |
| SCHEMBL62149 | 0.67 | — | — | |
| SCHEMBL20552705 | 0.67 | — | — | |
| SCHEMBL12332913 | 0.67 | — | — | |
| SCHEMBL2131555 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016029077-A1 | NOVEL N2, N4, N7, 6-TETRASUBSTITUTED PTERIDINE-2,4,7-TRIAMINE AND 2, 4, 6, 7-TETRASUBSTITUTED PTERIDINE COMPOUNDS AND METHODS OF SYNTHESIS AND USE THEREOF | JANUS BIOTHERAPEUTICS, INC. (US) | 2016-02-25 | — | — | WO | disclosed |
| WO-2010123792-A1 | PREPARATION OF C-PYRAZINE-METHYLAMINES | OSI PHARMACEUTICALS, INC. (US) | 2010-10-28 | — | — | WO | disclosed |
| WO-2007071639-A1 | SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-06-28 | — | — | WO | disclosed |