⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8352174 | 0.72 | — | — | |
| SCHEMBL1155690 | 0.69 | — | — | |
| SCHEMBL9923700 | 0.64 | — | — | |
| SCHEMBL505275 | 0.62 | — | — | |
| SCHEMBL160362 | 0.62 | — | — | |
| SCHEMBL19152927 | 0.61 | PARP1 (0.39) | — | |
| SCHEMBL23505888 | 0.60 | PDK1 (0.35) | — | |
| SCHEMBL10035000 | 0.60 | MMP9 (0.38) | — | |
| SCHEMBL19786136 | 0.60 | — | — | |
| SCHEMBL24577717 | 0.60 | MMP9 (0.36) | — |
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-2019079357-A1 | TNIK MODULATORS, CONJUGATES, AND USES THEREOF | SILVERBACK THERAPEUTICS, INC. (US) | 2019-04-25 | — | — | WO | disclosed |