⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL887382 | 1.00 | — | — | |
| SCHEMBL887333 | 1.00 | — | — | |
| SCHEMBL16110217 | 0.81 | — | — | |
| SCHEMBL16110585 | 0.81 | — | — | |
| SCHEMBL16110770 | 0.81 | — | — | |
| SCHEMBL22342079 | 0.80 | — | — | |
| SCHEMBL5963516 | 0.77 | — | — | |
| SCHEMBL5963774 | 0.77 | — | — | |
| SCHEMBL16110507 | 0.75 | — | — | |
| SCHEMBL6023732 | 0.72 | IDUA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2420505-A1 | Prodrug salts of 2, 4- pyrimidinediamine compounds and their uses | Rigel Pharmaceuticals, Inc. (US) | 2012-02-22 | — | — | EP | disclosed |