⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5048569 | 0.78 | — | — | |
| SCHEMBL29315795 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL21308026 | 0.74 | CRBN (0.30) | — | |
| SCHEMBL18520459 | 0.74 | TDP1 (0.32) | — | |
| SCHEMBL22417556 | 0.73 | — | — | |
| SCHEMBL21771497 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL7244741 | 0.72 | — | — | |
| Urea SCHEMBL29052984 | 0.72 | ALDH1A1 (0.45) | — | |
| SCHEMBL7244740 | 0.72 | — | — | |
| SCHEMBL9816657 | 0.71 | TSHR (0.45) | — |
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 |