⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22560667 | 0.84 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL18592285 | 0.83 | — | — | |
| SCHEMBL20046545 | 0.82 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL23664688 | 0.81 | — | — | |
| SCHEMBL20325214 | 0.78 | — | — | |
| SCHEMBL22006751 | 0.77 | NAAA (0.32) | — | |
| SCHEMBL22692331 | 0.76 | — | — | |
| SCHEMBL17169728 | 0.69 | TDP1 (0.45) | — | |
| SCHEMBL25468162 | 0.68 | TDP1 (0.40) | — | |
| SCHEMBL21026323 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200268897-A1 | Phosphatase Binding Compounds and Methods of Using Same | YALE UNIVERSITY | 2020-08-27 | — | — | US | disclosed |