⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27727930 | 0.84 | — | — | |
| SCHEMBL27812654 | 0.77 | — | — | |
| SCHEMBL27791564 | 0.76 | — | — | |
| SCHEMBL27812689 | 0.76 | — | — | |
| SCHEMBL27791578 | 0.74 | GPR4 (0.30) | — | |
| SCHEMBL27775885 | 0.73 | HDAC6 (0.47) | — | |
| SCHEMBL27727803 | 0.72 | HDAC6 (0.31) | — | |
| SCHEMBL28777649 | 0.71 | HTR6 (0.36) | — | |
| SCHEMBL28777480 | 0.70 | HDAC3 (0.36) | — | |
| SCHEMBL27532360 | 0.66 | PSIP1 (0.32) | — |
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-102227422-A | Heterocyclic jak kinase inhibitors | ASTRAZENECA AB | 2011-10-26 | — | — | CN | disclosed |