⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23934932 | 0.68 | — | — | |
| SCHEMBL13765655 | 0.63 | — | — | |
| SCHEMBL14491249 | 0.63 | — | — | |
| SCHEMBL14510016 | 0.61 | — | — | |
| SCHEMBL18357327 | 0.60 | — | — | |
| SCHEMBL24352032 | 0.59 | — | — | |
| SCHEMBL10164053 | 0.59 | — | — | |
| SCHEMBL14620939 | 0.59 | — | — | |
| SCHEMBL19623198 | 0.59 | — | — | |
| SCHEMBL22939486 | 0.58 | — | — |
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-9725419-B2 | Cycloalkyl substituted pyrimidinediamine compounds and their uses | RIGEL PHARMACEUTICALS, INC. (US) | 2017-08-08 | — | — | US | disclosed |