⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27863154 | 0.81 | AURKA (0.34) | — | |
| SCHEMBL28094259 | 0.75 | AURKA (0.40) | — | |
| SCHEMBL30395595 | 0.72 | FLT1 (0.45) | — | |
| SCHEMBL29058817 | 0.72 | FLT1 (0.45) | — | |
| SCHEMBL13011344 | 0.70 | CTNNB1 (0.38) | — | |
| SCHEMBL174741 | 0.70 | MAPT (0.49) | — | |
| SCHEMBL174971 | 0.70 | AURKA (0.49) | — | |
| SCHEMBL174152 | 0.70 | JAK2 (0.53) | — | |
| SCHEMBL174350 | 0.70 | JAK2 (0.53) | — | |
| SCHEMBL15434590 | 0.68 | JAK2 (0.42) | — |
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-105601619-A | JAK kinase modulating compounds and methods of use thereof | AMBIT BIOSCIENCES CORP | 2016-05-25 | — | — | CN | disclosed |