⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21880033 | 0.74 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL21393692 | 0.65 | — | — | |
| SCHEMBL21393396 | 0.64 | — | — | |
| SCHEMBL8981876 | 0.59 | PRMT5 (0.38) | — | |
| SCHEMBL21393683 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL29951289 | 0.57 | — | — | |
| SCHEMBL21393781 | 0.57 | KDM4E (0.30) | — | |
| SCHEMBL16322235 | 0.56 | — | — | |
| SCHEMBL21393694 | 0.56 | CA12 (0.32) | — | |
| SCHEMBL13925995 | 0.55 | — | — |
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 |