⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11435898 | 0.97 | BCHE (0.52) | — | |
| Bromide SCHEMBL8072820 | 0.80 | BCHE (0.67) | — | |
| Bromide SCHEMBL6549808 | 0.80 | BCHE (0.67) | — | |
| SCHEMBL6115213 | 0.79 | BCHE (0.69) | — | |
| SCHEMBL7707802 | 0.78 | BCHE (0.75) | — | |
| SCHEMBL28795635 | 0.78 | BCHE (0.75) | — | |
| SCHEMBL9244372 | 0.78 | BCHE (0.75) | — | |
| Hydrochloric Acid SCHEMBL11621756 | 0.76 | KMT2A (0.56) | — | |
| Bromide SCHEMBL11581197 | 0.76 | BCHE (0.71) | — | |
| SCHEMBL6114737 | 0.73 | BCHE (0.81) | — |
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-102574852-A | AKT inhibitors | LILLY CO ELI | 2012-07-11 | — | — | CN | disclosed |