⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6542690 | 0.83 | — | — | |
| SCHEMBL6510367 | 0.78 | KDM1A (0.30) | — | |
| SCHEMBL14150160 | 0.76 | — | — | |
| SCHEMBL6509318 | 0.75 | — | — | |
| SCHEMBL6898843 | 0.74 | — | — | |
| SCHEMBL28221025 | 0.71 | CHRNA7 (0.32) | — | |
| SCHEMBL5170532 | 0.69 | POLB (0.35) | — | |
| SCHEMBL3456679 | 0.68 | — | — | |
| SCHEMBL16428828 | 0.68 | HTR2A (0.33) | — | |
| SCHEMBL16428784 | 0.68 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002079207-A2 | TRI-AND BIDENTATE AMIDO LIGANDS PREPARED BY PALLADIUM0 COUPLING AND METALLATION THEREOF TO FORM METAL-AMIDO CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2002-10-10 | — | — | WO | disclosed |