⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL212804 | 0.87 | — | — | |
| SCHEMBL6868609 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL27336446 | 0.82 | — | — | |
| Acetone SCHEMBL8914600 | 0.76 | — | — | |
| Acetone SCHEMBL6751692 | 0.76 | — | — | |
| Acetone SCHEMBL1653214 | 0.76 | — | — | |
| Acetone SCHEMBL28787400 | 0.76 | — | — | |
| Acetone SCHEMBL28253462 | 0.75 | — | — | |
| Acetone SCHEMBL27131366 | 0.73 | — | — | |
| Acetone SCHEMBL7644638 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1678321-A | Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds | RIGEL PHARMACEUTICALS INC (US) | 2005-10-05 | — | — | CN | disclosed |