⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15710798 | 0.98 | — | — | |
| SCHEMBL15710570 | 0.88 | — | — | |
| SCHEMBL15711062 | 0.86 | SIGMAR1 (0.31) | — | |
| SCHEMBL15710716 | 0.86 | MEN1 (0.36) | — | |
| SCHEMBL15710899 | 0.85 | GPR119 (0.33) | — | |
| SCHEMBL15711147 | 0.84 | KDM4E (0.33) | — | |
| SCHEMBL15711236 | 0.81 | — | — | |
| SCHEMBL18043224 | 0.80 | POLB (0.30) | — | |
| SCHEMBL18043226 | 0.80 | POLB (0.30) | — | |
| SCHEMBL18043453 | 0.78 | HSD11B1 (0.30) | — |
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-20160257686-A1 | Purinone Derivatives as Tyrosine Kinase Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2016-09-08 | — | — | US | claimed |
| US-20160257686-A1 | Purinone Derivatives as Tyrosine Kinase Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2016-09-08 | — | — | US | disclosed |
| US-20140142099-A1 | Purinone Derivatives as Tyrosine Kinase Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2014-05-22 | — | — | US | disclosed |