⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20609355 | 1.00 | ALDH1A1 (0.36) | — | |
| Cyclopropane SCHEMBL11122692 | 1.00 | ALDH1A1 (0.36) | — | |
| SCHEMBL3455746 | 0.97 | — | — | |
| SCHEMBL20284520 | 0.97 | — | — | |
| SCHEMBL8258133 | 0.97 | — | — | |
| Bromide SCHEMBL7065185 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4283459 | 0.95 | — | — | |
| SCHEMBL8757826 | 0.89 | — | — | |
| SCHEMBL14747926 | 0.89 | — | — | |
| SCHEMBL3611735 | 0.89 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9012463-B2 | Inhibitors of bruton's tyrosine kinase | PHARMACYCLICS, INC. (US) | 2015-04-21 | — | — | US | disclosed |
| US-20140080844-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2014-03-20 | — | — | US | disclosed |
| WO-2011046964-A2 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2011-04-21 | — | — | WO | disclosed |