⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10434702 | 0.87 | MAPT (0.39) | — | |
| SCHEMBL20327162 | 0.79 | — | — | |
| SCHEMBL23659048 | 0.79 | — | — | |
| Dimethylamine SCHEMBL3824284 | 0.77 | TAS1R3 (0.46) | — | |
| Hydrochloric Acid SCHEMBL27722688 | 0.77 | TSHR (0.41) | — | |
| SCHEMBL167052 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL28276776 | 0.77 | GABRR1 (0.32) | — | |
| SCHEMBL29129133 | 0.76 | — | — | |
| SCHEMBL31478269 | 0.76 | — | — | |
| SCHEMBL20334819 | 0.76 | ALDH1A1 (0.36) | — |
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 2 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 | disclosed |
| US-20140142099-A1 | Purinone Derivatives as Tyrosine Kinase Inhibitors | PRINCIPIA BIOPHARMA INC. (US) | 2014-05-22 | — | — | US | disclosed |