⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21393820 | 0.81 | GAA (0.30) | — | |
| SCHEMBL21393693 | 0.73 | APOBEC3A (0.32) | — | |
| SCHEMBL21393786 | 0.70 | POLB (0.31) | — | |
| SCHEMBL21393598 | 0.69 | PDE7A (0.30) | — | |
| SCHEMBL21393792 | 0.65 | KDM4E (0.36) | — | |
| SCHEMBL21393791 | 0.62 | GAA (0.30) | — | |
| SCHEMBL18477792 | 0.56 | — | — | |
| SCHEMBL25959717 | 0.49 | — | — | |
| SCHEMBL26624706 | 0.48 | LDHA (0.42) | — | |
| SCHEMBL13799172 | 0.48 | TET2 (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 |