⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25932766 | 0.81 | — | — | |
| SCHEMBL10064351 | 0.81 | — | — | |
| SCHEMBL10064190 | 0.81 | — | — | |
| SCHEMBL28281138 | 0.80 | KCNH2 (0.45) | — | |
| SCHEMBL28281137 | 0.80 | KCNH2 (0.45) | — | |
| SCHEMBL15994374 | 0.79 | — | — | |
| SCHEMBL28300065 | 0.76 | EPHX1 (0.38) | — | |
| SCHEMBL8851498 | 0.75 | GNAI3 (0.52) | — | |
| SCHEMBL4514731 | 0.75 | — | — | |
| SCHEMBL14629935 | 0.75 | SMYD3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023104155-A1 | LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF | 标新生物医药科技(上海)有限公司 | 2023-06-15 | — | — | WO | disclosed |
| WO-2007006926-A2 | NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2007-01-18 | — | — | WO | disclosed |