⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13606986 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL22477734 | 0.71 | MAPK8 (0.34) | — | |
| SCHEMBL21393367 | 0.69 | NQO1 (0.36) | — | |
| SCHEMBL21393347 | 0.65 | — | — | |
| SCHEMBL20203156 | 0.65 | CCR1 (0.32) | — | |
| SCHEMBL13073889 | 0.64 | ALB (0.37) | — | |
| SCHEMBL25345775 | 0.62 | KCNJ1 (0.41) | — | |
| SCHEMBL11986180 | 0.60 | KDM4E (0.35) | — | |
| SCHEMBL18459302 | 0.60 | KDM4E (0.30) | — | |
| SCHEMBL15321953 | 0.59 | EPAS1 (0.34) | — |
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 |