⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16219831 | 1.00 | — | — | |
| SCHEMBL12127732 | 0.81 | — | — | |
| SCHEMBL14851166 | 0.69 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL14851173 | 0.69 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL4029406 | 0.67 | — | — | |
| SCHEMBL12850150 | 0.65 | — | — | |
| SCHEMBL1983701 | 0.65 | — | — | |
| SCHEMBL15052626 | 0.65 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL283932 | 0.65 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL15429391 | 0.65 | — | — |
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-9586931-B2 | Triazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |