⚠ 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 | 0.59 | GAA (0.30) | — | |
| SCHEMBL21393786 | 0.59 | POLB (0.31) | — | |
| SCHEMBL21393598 | 0.58 | PDE7A (0.30) | — | |
| SCHEMBL28470182 | 0.54 | MAOA (0.44) | — | |
| SCHEMBL21393891 | 0.54 | — | — | |
| SCHEMBL28426679 | 0.53 | NTRK1 (0.31) | — | |
| Propylene Glycol SCHEMBL5558430 | 0.48 | TDP1 (0.59) | — | |
| SCHEMBL17766297 | 0.48 | — | — | |
| SCHEMBL19876987 | 0.48 | FPR2 (0.35) | — | |
| SCHEMBL1421336 | 0.47 | — | — |
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 |