⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7598023 | 0.82 | — | — | |
| SCHEMBL6543142 | 0.78 | NR5A2 (0.30) | — | |
| SCHEMBL6514981 | 0.76 | — | — | |
| SCHEMBL6269405 | 0.76 | KDM4E (0.30) | — | |
| SCHEMBL28851386 | 0.76 | — | — | |
| SCHEMBL28945459 | 0.74 | — | — | |
| SCHEMBL902726 | 0.74 | OPRM1 (0.31) | — | |
| SCHEMBL28743935 | 0.73 | — | — | |
| SCHEMBL28924288 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL27648162 | 0.73 | — | — |
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 |