⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2878483 | 0.74 | — | — | |
| SCHEMBL2878155 | 0.74 | SCN9A (0.31) | — | |
| SCHEMBL2922383 | 0.72 | ATR (0.38) | — | |
| SCHEMBL391300 | 0.71 | CACNA2D1 (0.34) | — | |
| SCHEMBL1339029 | 0.68 | — | — | |
| SCHEMBL31341809 | 0.64 | CYP2A6 (0.40) | — | |
| SCHEMBL391666 | 0.62 | CYP2A6 (0.38) | — | |
| SCHEMBL3154989 | 0.61 | HTR2A (0.44) | — | |
| SCHEMBL19756681 | 0.61 | PDPK1 (0.46) | — | |
| SCHEMBL14831141 | 0.60 | CYP17A1 (0.43) | — |
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-2125794-B1 | IMIDAZOLIDINONYL AMINOPYRIMIDINE COMPOUNDS FOR THE TREATMENT OF CANCER | LILLY CO ELI (US) | 2010-10-20 | — | — | EP | disclosed |