⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2846014 | 0.70 | BACE1 (0.37) | — | |
| SCHEMBL4472550 | 0.68 | HCAR2 (0.33) | — | |
| SCHEMBL4292715 | 0.68 | TAAR1 (0.32) | — | |
| SCHEMBL4281846 | 0.68 | DRD2 (0.33) | — | |
| SCHEMBL4284969 | 0.66 | TAAR1 (0.35) | — | |
| SCHEMBL4454782 | 0.64 | — | — | |
| SCHEMBL4282740 | 0.64 | — | — | |
| SCHEMBL3667278 | 0.64 | — | — | |
| SCHEMBL2843552 | 0.62 | — | — | |
| SCHEMBL4459321 | 0.61 | PDE8B (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 |
|---|---|---|---|---|---|---|---|
| WO-2009017838-A2 | COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS | EXELIXIS, INC. (US) | 2009-02-05 | — | — | WO | claimed |