⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19383721 | 0.76 | TRPA1 (0.32) | — | |
| SCHEMBL14616134 | 0.68 | TRPA1 (0.32) | — | |
| SCHEMBL11939572 | 0.67 | — | — | |
| SCHEMBL6560921 | 0.67 | — | — | |
| SCHEMBL23214368 | 0.67 | — | — | |
| SCHEMBL27343623 | 0.66 | TRPA1 (0.38) | — | |
| SCHEMBL20457692 | 0.66 | TRPA1 (0.38) | — | |
| SCHEMBL24158449 | 0.66 | TGM2 (0.43) | — | |
| SCHEMBL13958495 | 0.65 | — | — | |
| SCHEMBL23673853 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021026429-A1 | BUTYRYLCHOLINESTERASE COMPOUNDS AND USE IN DISEASES OF THE NERVOUS SYSTEM | TREVENTIS CORPORATION (US) | 2021-02-11 | — | — | WO | disclosed |