⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19672356 | 1.00 | — | — | |
| SCHEMBL3071851 | 0.87 | KDM4E (0.60) | — | |
| SCHEMBL20857227 | 0.87 | KDM4E (0.60) | — | |
| SCHEMBL12357051 | 0.83 | KDM4E (0.65) | — | |
| SCHEMBL734480 | 0.83 | KDM4E (0.65) | — | |
| SCHEMBL21985069 | 0.78 | — | — | |
| SCHEMBL106122 | 0.77 | — | — | |
| SCHEMBL3747066 | 0.77 | — | — | |
| SCHEMBL2985874 | 0.77 | — | — | |
| SCHEMBL10076291 | 0.77 | — | — |
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-20110086866-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2011-04-14 | — | — | US | disclosed |