⚠ 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 | |
|---|---|---|---|---|
| Cyclopentanamine SCHEMBL3875980 | 0.90 | ACHE (0.44) | — | |
| Bicarbonate SCHEMBL578685 | 0.90 | — | — | |
| Cyclohexylamine SCHEMBL11585174 | 0.88 | EPHX1 (0.44) | — | |
| Cyclohexylamine SCHEMBL28119655 | 0.88 | EPHX1 (0.44) | — | |
| Cyclohexylamine SCHEMBL974731 | 0.88 | EPHX1 (0.44) | — | |
| Bicarbonate SCHEMBL11593113 | 0.87 | PEPD (0.41) | — | |
| Carbamic Acid SCHEMBL1766142 | 0.84 | THRB (0.53) | — | |
| Carbamic Acid SCHEMBL1766145 | 0.84 | THRB (0.53) | — | |
| Carbamic Acid SCHEMBL1766141 | 0.84 | THRB (0.53) | — | |
| Bicarbonate SCHEMBL1702507 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2027107-B1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-02-15 | — | — | EP | disclosed |
| EP-2357181-A1 | 2,4-Diaminopyrimidines as inhibitors of cell cycle kinases | Boehringer Ingelheim International GmbH (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-2027107-A1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007132010-A1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-22 | — | — | WO | disclosed |