⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29558676 | 0.89 | CTSB (0.31) | — | |
| SCHEMBL17721386 | 0.78 | P2RX4 (0.34) | — | |
| SCHEMBL17254417 | 0.72 | DNMT1 (0.32) | — | |
| SCHEMBL15395836 | 0.70 | DNMT1 (0.35) | — | |
| SCHEMBL19868965 | 0.70 | DNMT1 (0.35) | — | |
| SCHEMBL22241547 | 0.70 | CASP1 (0.31) | — | |
| SCHEMBL25831382 | 0.70 | PTGS1 (0.45) | — | |
| SCHEMBL20887626 | 0.69 | PKM (0.33) | — | |
| SCHEMBL22314407 | 0.69 | DNMT1 (0.31) | — | |
| SCHEMBL22224180 | 0.69 | DNMT1 (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-3057585-B1 | PEGYLATED DRUG-LINKERS FOR IMPROVED LIGAND-DRUG CONJUGATE PHARMACOKINETICS | SEATTLE GENETICS INC (US) | 2020-07-22 | — | — | EP | disclosed |