⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9070602 | 0.77 | — | — | |
| SCHEMBL1275869 | 0.75 | — | — | |
| SCHEMBL9990145 | 0.71 | — | — | |
| SCHEMBL11181308 | 0.71 | — | — | |
| SCHEMBL10706044 | 0.71 | — | — | |
| SCHEMBL18790 | 0.69 | — | — | |
| SCHEMBL139642 | 0.69 | — | — | |
| SCHEMBL17040569 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL2319672 | 0.66 | — | — | |
| Ammonia Solution, Strong SCHEMBL1694485 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7863286-B2 | Stereoisomerically enriched 3-aminocarbonyl bicycloheptene pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2011-01-04 | — | — | US | disclosed |
| US-20070179140-A1 | Stereoisomerically Enriched 3-Aminocarbonyl Bicycloheptene Pyrimidinediamine Compounds And Their Uses | RIGEL PHARMACEUTICALS, INC. (US) | 2007-08-02 | — | — | US | disclosed |