⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL992946 | 1.00 | — | — | |
| SCHEMBL13347079 | 1.00 | — | — | |
| SCHEMBL15280657 | 1.00 | — | — | |
| SCHEMBL4828480 | 1.00 | — | — | |
| SCHEMBL19190722 | 1.00 | — | — | |
| SCHEMBL24240089 | 1.00 | — | — | |
| SCHEMBL13531247 | 1.00 | — | — | |
| SCHEMBL15384524 | 1.00 | — | — | |
| SCHEMBL22100978 | 1.00 | — | — | |
| SCHEMBL9965214 | 1.00 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160256459-A1 | SOLID FORMS OF 2-(TERT-BUTYLAMINO)-4-((1R,3R,4R)-3-HYDROXY-4-METHYLCYCLOHEXYLAMINO)-PYRIMIDINE-5-CARBOXAMIDE, COMPOSITIONS THEREOF AND METHODS OF THEIR USE | SIGNAL PHARM LLC (US) | 2016-09-08 | — | — | US | disclosed |