⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9021696 | 1.00 | — | — | |
| SCHEMBL1479059 | 0.78 | — | — | |
| SCHEMBL3227108 | 0.73 | — | — | |
| SCHEMBL5881306 | 0.73 | TRPA1 (0.33) | — | |
| SCHEMBL5881304 | 0.73 | TRPA1 (0.33) | — | |
| SCHEMBL3227112 | 0.73 | — | — | |
| SCHEMBL8032496 | 0.73 | — | — | |
| SCHEMBL8032491 | 0.73 | — | — | |
| SCHEMBL9450437 | 0.73 | — | — | |
| SCHEMBL10696862 | 0.73 | — | — |
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-2015057803-A1 | METHOD OF GENERATING LINKAGE-SPECIFIC DI-AND POLYPROTEIN PROBES | ZHUANG ZHIHAO (US) | 2015-04-23 | — | — | WO | disclosed |