⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22140626 | 0.83 | SLC6A12 (0.41) | — | |
| SCHEMBL12802513 | 0.69 | — | — | |
| SCHEMBL12633783 | 0.69 | — | — | |
| SCHEMBL11378198 | 0.63 | — | — | |
| SCHEMBL11217265 | 0.62 | — | — | |
| SCHEMBL15110974 | 0.62 | — | — | |
| SCHEMBL12834663 | 0.60 | — | — | |
| SCHEMBL13364416 | 0.60 | — | — | |
| SCHEMBL13380566 | 0.60 | TLR4 (0.36) | — | |
| SCHEMBL14963184 | 0.59 | GABRR1 (0.54) | — |
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-2020132655-A1 | ADCS WITH THIOL MULTIPLEX LINKERS | SEATTLE GENETICS, INC. (US) | 2020-06-25 | — | — | WO | disclosed |