⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17249470 | 1.00 | — | — | |
| SCHEMBL14138306 | 0.78 | TRPA1 (0.31) | — | |
| SCHEMBL9116921 | 0.77 | — | — | |
| SCHEMBL5155449 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL878822 | 0.75 | — | — | |
| SCHEMBL7634643 | 0.73 | — | — | |
| SCHEMBL6705442 | 0.73 | — | — | |
| SCHEMBL10964925 | 0.73 | — | — | |
| SCHEMBL31749657 | 0.71 | — | — | |
| SCHEMBL6817486 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2054411-B1 | NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST; AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | AMOREPACIFIC CORP (KR) | 2014-08-20 | — | — | EP | disclosed |
| US-20120149662-A1 | Heterocyclic Compounds as Janus Kinase Inhibitors | BIOCRYST PHARMACEUTICALS, INC. (US) | 2012-06-14 | — | — | US | disclosed |