⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21363483 | 0.83 | TDP1 (0.36) | — | |
| SCHEMBL21363439 | 0.69 | ADORA2A (0.41) | — | |
| SCHEMBL22477644 | 0.67 | ADORA2A (0.39) | — | |
| SCHEMBL22210623 | 0.66 | ADORA2A (0.46) | — | |
| SCHEMBL22210504 | 0.66 | ADORA2A (0.35) | — | |
| SCHEMBL25165827 | 0.65 | TRPA1 (0.36) | — | |
| SCHEMBL21363707 | 0.65 | ADORA2A (0.40) | — | |
| SCHEMBL22957048 | 0.65 | ADORA2B (0.43) | — | |
| SCHEMBL21363380 | 0.64 | — | — | |
| SCHEMBL10296681 | 0.63 | TP53 (0.42) | — |
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-20190284179-A1 | OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS | GENENTECH, INC. (US) | 2019-09-19 | — | — | US | disclosed |