⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1256184 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL9670232 | 0.77 | — | — | |
| SCHEMBL11214806 | 0.77 | — | — | |
| SCHEMBL130617 | 0.67 | — | — | |
| SCHEMBL17749950 | 0.67 | — | — | |
| SCHEMBL3818681 | 0.67 | — | — | |
| SCHEMBL9935612 | 0.66 | — | — | |
| SCHEMBL19611489 | 0.66 | — | — | |
| SCHEMBL2863306 | 0.64 | — | — | |
| SCHEMBL2508360 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1313713-B1 | 4-PYRIMIDINAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND RELATED METHODS | ORTHO MCNEIL PHARM INC (US) | 2008-06-11 | — | — | EP | disclosed |
| US-20050203092-A1 | 4-Pyrimidinamine derivatives, pharmaceutical compositions and related methods | BENJAMIN ELFRIDA R (US) | 2005-09-15 | — | — | US | disclosed |