⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12695687 | 1.00 | — | — | |
| SCHEMBL23658828 | 0.74 | — | — | |
| SCHEMBL12157434 | 0.72 | — | — | |
| SCHEMBL737589 | 0.72 | — | — | |
| SCHEMBL19069564 | 0.72 | — | — | |
| SCHEMBL16812272 | 0.72 | — | — | |
| SCHEMBL23183145 | 0.70 | — | — | |
| SCHEMBL727217 | 0.69 | — | — | |
| SCHEMBL727216 | 0.69 | — | — | |
| SCHEMBL19629125 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023147468-A1 | N-OXIDE INHIBITORS OF NLRP3 INFLAMMASOME | BioAge Labs, Inc. (US) | 2023-08-03 | — | — | WO | disclosed |
| US-20170145018-A1 | COMPOUNDS AND COMPOSITIONS USEFUL FOR TREATING DISORDERS RELATED TO NTRK | BLUEPRINT MEDICINES CORPORATION | 2017-05-25 | — | — | US | disclosed |