⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL622940 | 0.78 | GPR3 (0.41) | — | |
| SCHEMBL899948 | 0.78 | GPR3 (0.36) | — | |
| SCHEMBL1067464 | 0.76 | GPR3 (0.38) | — | |
| SCHEMBL1068587 | 0.76 | CES2 (0.32) | — | |
| SCHEMBL22683446 | 0.76 | AURKA (0.32) | — | |
| SCHEMBL407749 | 0.76 | P2RX1 (0.33) | — | |
| SCHEMBL455599 | 0.76 | MAOA (0.31) | — | |
| SCHEMBL6599937 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL1068187 | 0.73 | PDE2A (0.30) | — | |
| SCHEMBL1066850 | 0.73 | NPC1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106660991-A | Antiproliferative compounds and methods of use thereof | 细胞基因公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-102753522-B | Substituted pyrrolidine-2-carboxamides | HOFFMANN LA ROCHE | 2013-11-27 | — | — | CN | disclosed |
| US-20080292608-A1 | Compounds and Compositions as Ppar Modulators | IRM LLC (BM) | 2008-11-27 | — | — | US | disclosed |
| EP-1945633-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2008-07-23 | — | — | EP | disclosed |
| WO-2007056497-A1 | COMPOUNDS AND COMPOSITIONS AS PPAR MODULATORS | IRM LLC (BM) | 2007-05-18 | — | — | WO | disclosed |