⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5509634 | 0.86 | DPP4 (0.33) | — | |
| SCHEMBL9918180 | 0.80 | — | — | |
| SCHEMBL15730430 | 0.80 | — | — | |
| SCHEMBL13094616 | 0.80 | EPHX1 (0.34) | — | |
| SCHEMBL24477902 | 0.80 | — | — | |
| SCHEMBL24398983 | 0.79 | — | — | |
| SCHEMBL23107104 | 0.77 | — | — | |
| SCHEMBL21669905 | 0.77 | — | — | |
| SCHEMBL15494526 | 0.76 | — | — | |
| SCHEMBL26714470 | 0.74 | MEN1 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023220046-A1 | TYK2 INHIBITORS | BIOGEN MA INC. (US) | 2023-11-16 | — | — | WO | disclosed |
| 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 |
| US-20130071415-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2013-03-21 | — | — | US | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |
| US-20100041639-A1 | CYCLIC MALONAMIDES AS INHIBITORS OF A BETA PROTEIN PRODUCTION | BRISTOL-MYERS SQIBB PHARMA COMAPNY (US) | 2010-02-18 | — | — | US | disclosed |
| US-7528249-B2 | Cyclic malonamides as inhibitors of aβ protein production | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2009-05-05 | — | — | US | disclosed |
| US-20080275024-A1 | CYCLIC MALONAMIDES AS INHIBITORS OF ASS PROTEIN PRODUCTION | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2008-11-06 | — | — | US | disclosed |
| US-7276496-B2 | Cyclic malonamides as inhibitors of Aβ protein protection | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-10-02 | — | — | US | disclosed |