⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18184752 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL18647651 | 0.80 | — | — | |
| SCHEMBL18184569 | 0.80 | — | — | |
| SCHEMBL23904591 | 0.79 | — | — | |
| SCHEMBL2709395 | 0.79 | — | — | |
| SCHEMBL21553585 | 0.75 | MCL1 (0.34) | — | |
| SCHEMBL8143281 | 0.72 | ALDH1A1 (0.59) | — | |
| Acrylic Acid SCHEMBL29105755 | 0.72 | LMNA (0.59) | — | |
| SCHEMBL221762 | 0.72 | — | — | |
| SCHEMBL11512150 | 0.72 | ALDH1A1 (0.31) | — |
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-2399909-B1 | Hydroxylated cyclopenta[d]pyrimidines as AKT protein kinase inhibitors | ARRAY BIOPHARMA INC (US) | 2015-08-26 | — | — | EP | disclosed |