⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10217168 | 0.83 | — | — | |
| SCHEMBL31277087 | 0.71 | — | — | |
| SCHEMBL9108972 | 0.71 | POLB (0.30) | — | |
| SCHEMBL20892040 | 0.69 | — | — | |
| SCHEMBL280038 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL10171064 | 0.69 | — | — | |
| SCHEMBL18999137 | 0.68 | — | — | |
| SCHEMBL21720452 | 0.67 | — | — | |
| SCHEMBL21720454 | 0.67 | — | — | |
| SCHEMBL21718682 | 0.67 | — | — |
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-20210070748-A1 | INHIBITORS OF BRUTONS TYROSINE KINASE | PHARMACYCLICS LLC (US) | 2021-03-11 | — | — | US | disclosed |
| WO-2009024615-A1 | AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS | NOVARTIS AG (CH) | 2009-02-26 | — | — | WO | disclosed |
| US-20090054427-A1 | AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS | BRIARD EMMANUELLE | 2009-02-26 | — | — | US | disclosed |