⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22803520 | 0.59 | — | — | |
| SCHEMBL28305140 | 0.51 | — | — | |
| SCHEMBL22723700 | 0.51 | — | — | |
| SCHEMBL8146683 | 0.50 | — | — | |
| SCHEMBL486839 | 0.49 | — | — | |
| SCHEMBL9945731 | 0.49 | — | — | |
| SCHEMBL17302637 | 0.47 | — | — | |
| SCHEMBL14151519 | 0.46 | — | — | |
| SCHEMBL18330472 | 0.46 | — | — | |
| SCHEMBL4769725 | 0.46 | MEN1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3193880-B1 | INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL | LILLY CO ELI (US) | 2020-03-25 | — | — | EP | disclosed |