⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20590205 | 0.79 | HSD17B3 (0.31) | — | |
| SCHEMBL16680707 | 0.72 | TRPV4 (0.39) | — | |
| SCHEMBL16556066 | 0.70 | TRPV4 (0.43) | — | |
| SCHEMBL30856816 | 0.67 | CA12 (0.33) | — | |
| SCHEMBL19866089 | 0.67 | CA12 (0.33) | — | |
| SCHEMBL16555592 | 0.66 | EPAS1 (0.50) | — | |
| SCHEMBL16825486 | 0.66 | ALDH1A1 (0.34) | — | |
| SCHEMBL16825498 | 0.63 | EPAS1 (0.43) | — | |
| SCHEMBL16825485 | 0.63 | — | — | |
| SCHEMBL7426740 | 0.62 | TRPV4 (0.34) | — |
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-3417851-A1 | ARYL ETHERS AND USES THEREOF | Peloton Therapeutics, Inc. (US) | 2018-12-26 | — | — | EP | disclosed |
| US-9896418-B2 | Aryl ethers and uses thereof | PELOTON THERAPEUTICS, INC. (US) | 2018-02-20 | — | — | US | disclosed |