⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14561907 | 0.60 | — | — | |
| SCHEMBL22441189 | 0.59 | CES2 (0.31) | — | |
| SCHEMBL20939942 | 0.59 | CES2 (0.31) | — | |
| SCHEMBL6131572 | 0.59 | — | — | |
| SCHEMBL7122794 | 0.58 | — | — | |
| SCHEMBL8473054 | 0.57 | PAOX (0.32) | — | |
| SCHEMBL19490507 | 0.55 | — | — | |
| SCHEMBL29689759 | 0.55 | LMNA (0.32) | — | |
| SCHEMBL20917014 | 0.54 | TRPA1 (0.32) | — | |
| SCHEMBL20939835 | 0.54 | TRPA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0629617-B2 | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INT BV (NL) | 2007-09-26 | — | — | EP | disclosed |