⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13991691 | 0.78 | LCK (0.37) | — | |
| SCHEMBL6761845 | 0.78 | TRPA1 (0.37) | — | |
| SCHEMBL31355064 | 0.77 | — | — | |
| SCHEMBL23775550 | 0.75 | — | — | |
| SCHEMBL988807 | 0.75 | — | — | |
| SCHEMBL26450921 | 0.75 | — | — | |
| SCHEMBL539353 | 0.75 | — | — | |
| SCHEMBL13393281 | 0.73 | — | — | |
| SCHEMBL27699086 | 0.73 | — | — | |
| SCHEMBL22231199 | 0.71 | — | — |
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-20170335059-A1 | FUNCTIONAL POLYMERS | THE UNIVERSITY OF AKRON | 2017-11-23 | — | — | US | disclosed |