⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19438494 | 0.80 | PIK3CD (0.37) | — | |
| SCHEMBL20797220 | 0.79 | PIK3CD (0.36) | — | |
| SCHEMBL5158427 | 0.78 | ACACB (0.36) | — | |
| SCHEMBL5160047 | 0.77 | PIK3CD (0.35) | — | |
| SCHEMBL5160077 | 0.77 | ACACB (0.38) | — | |
| SCHEMBL5163521 | 0.77 | MGAM (0.44) | — | |
| SCHEMBL5158091 | 0.77 | ACACB (0.38) | — | |
| SCHEMBL5158842 | 0.76 | F2R (0.35) | — | |
| SCHEMBL8865580 | 0.75 | PIK3CD (0.40) | — | |
| SCHEMBL5160577 | 0.75 | KCNH2 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230159558-A1 | SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF | MERCK SHARP & DOHME LLC (US) | 2023-05-25 | — | — | US | disclosed |
| CN-104066731-A | 2-benzyl, 3- (pyrimidin-2-yl) substituted pyrazoles useful as SGC stimulators | IRONWOOD PHARMACEUTICALS INC | 2014-09-24 | — | — | CN | disclosed |
| US-RE43802-E1 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2012-11-13 | — | — | US | disclosed |
| US-8163763-B2 | Pyrimidine compounds, compositions and methods of use | GENENTECH, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| US-7531538-B2 | α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2009-05-12 | — | — | US | disclosed |
| US-7320983-B2 | α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE LLC (US) | 2008-01-22 | — | — | US | disclosed |
| US-20070078173-A1 | Alpha- and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G.D. SEARLE & CO. (US) | 2007-04-05 | — | — | US | disclosed |