⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22842218 | 0.91 | — | — | |
| SCHEMBL22241569 | 0.75 | — | — | |
| SCHEMBL22841483 | 0.74 | AKT1 (0.31) | — | |
| SCHEMBL22241568 | 0.74 | AKT1 (0.31) | — | |
| SCHEMBL16665955 | 0.72 | — | — | |
| SCHEMBL16665959 | 0.72 | — | — | |
| SCHEMBL22241565 | 0.70 | — | — | |
| SCHEMBL16665817 | 0.65 | SIRT6 (0.40) | — | |
| SCHEMBL21841834 | 0.59 | NAALAD2 (0.33) | — | |
| SCHEMBL29430141 | 0.59 | FNTA (0.37) | — |
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-3756663-A1 | PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS | Seagen Inc. (US) | 2020-12-30 | — | — | EP | disclosed |