⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31719596 | 1.00 | — | — | |
| SCHEMBL638389 | 1.00 | — | — | |
| SCHEMBL15564999 | 1.00 | THRB (0.41) | — | |
| SCHEMBL6312624 | 0.92 | — | — | |
| SCHEMBL6312937 | 0.90 | TRIM24 (0.46) | — | |
| SCHEMBL1891157 | 0.90 | TRIM24 (0.46) | — | |
| SCHEMBL6337969 | 0.90 | TRIM24 (0.46) | — | |
| Ethylene SCHEMBL7364458 | 0.88 | TRIM24 (0.39) | — | |
| SCHEMBL2664314 | 0.83 | — | — | |
| SCHEMBL10488160 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10906033-B2 | Synthesis and application of chiral substituted polyvinylpyrrolidinones | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2021-02-02 | — | — | US | disclosed |
| EP-3738954-A1 | METHOD OF PREPARATION OF SUBSTITUTED 2,4-DIAMINO-PYRIMIDINE-5-CARBOXAMIDES | Signal Pharmaceuticals, LLC (US) | 2020-11-18 | — | — | EP | disclosed |
| US-20200306737-A1 | SYNTHESIS AND APPLICATION OF CHIRAL SUBSTITUTED POLYVINYLPYRROLIDINONES | KANSAS STATE UNIVERSITY RESEARCH FOUNDATION | 2020-10-01 | — | — | US | disclosed |
| EP-3099302-B1 | CRYSTALLINE FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE | SIGNAL PHARM LLC (US) | 2020-06-17 | — | — | EP | disclosed |