⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28417847 | 0.89 | — | — | |
| SCHEMBL21393339 | 0.79 | P2RX7 (0.36) | — | |
| SCHEMBL12301043 | 0.71 | CHRM2 (0.38) | — | |
| SCHEMBL11929362 | 0.71 | CHRM2 (0.38) | — | |
| SCHEMBL17946216 | 0.71 | CHRM2 (0.38) | — | |
| SCHEMBL14226921 | 0.66 | — | — | |
| SCHEMBL9660551 | 0.61 | — | — | |
| SCHEMBL1116394 | 0.61 | — | — | |
| SCHEMBL2617060 | 0.61 | — | — | |
| SCHEMBL9066543 | 0.60 | CHRM2 (0.36) | — |
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 |