⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17813487 | 0.72 | MEN1 (0.40) | — | |
| SCHEMBL17807789 | 0.68 | JAK2 (0.32) | — | |
| SCHEMBL17807795 | 0.66 | MTOR (0.50) | — | |
| SCHEMBL25786380 | 0.65 | — | — | |
| SCHEMBL27419154 | 0.65 | — | — | |
| SCHEMBL23507943 | 0.63 | — | — | |
| SCHEMBL19200862 | 0.62 | KCNH2 (0.30) | — | |
| SCHEMBL19153514 | 0.62 | — | — | |
| SCHEMBL17807816 | 0.61 | KDM5B (0.31) | — | |
| SCHEMBL84926 | 0.61 | NNMT (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9663520-B2 | Bicyclic bromodomain inhibitors | ZENITH EPIGENETICS LTD. (CA) | 2017-05-30 | — | — | US | disclosed |