⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24392173 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL16375262 | 0.70 | — | — | |
| SCHEMBL24391766 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL13968294 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL24392633 | 0.67 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL24391694 | 0.67 | KDR (0.31) | — | |
| SCHEMBL24391780 | 0.67 | ACVRL1 (0.33) | — | |
| SCHEMBL24391697 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL24391796 | 0.64 | EGLN2 (0.35) | — | |
| SCHEMBL24391770 | 0.63 | RET (0.31) | — |
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-9458162-B2 | Cyclic molecules as bruton's tyrosine kinase inhibitors | NANJING ALLGEN PHARMA CO. LTD. (CN) | 2016-10-04 | — | — | US | disclosed |
| US-20150011530-A1 | CYCLIC MOLECULES AS BRUTON'S TYROSINE KINASE INHIBITORS | GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) | 2015-01-08 | — | — | US | disclosed |