⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21393311 | 0.89 | — | — | |
| SCHEMBL23914118 | 0.82 | — | — | |
| SCHEMBL21083133 | 0.80 | — | — | |
| SCHEMBL280626 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL30933578 | 0.76 | — | — | |
| SCHEMBL8036365 | 0.70 | — | — | |
| SCHEMBL790988 | 0.70 | — | — | |
| SCHEMBL22915910 | 0.70 | — | — | |
| SCHEMBL18295178 | 0.70 | — | — | |
| SCHEMBL6899661 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019182925-A1 | OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | GENENTECH, INC. (US) | 2019-09-26 | — | — | WO | disclosed |