⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19584510 | 0.75 | GRM5 (0.39) | — | |
| SCHEMBL31607907 | 0.72 | CYP1A2 (0.38) | — | |
| SCHEMBL23089069 | 0.70 | BACE1 (0.35) | — | |
| SCHEMBL23043223 | 0.69 | ALK (0.30) | — | |
| SCHEMBL15221706 | 0.69 | BACE1 (0.37) | — | |
| SCHEMBL9091041 | 0.69 | — | — | |
| SCHEMBL617257 | 0.68 | ALOX5AP (0.35) | — | |
| SCHEMBL22866568 | 0.68 | PYCR1 (0.30) | — | |
| SCHEMBL8526099 | 0.67 | CYP1A2 (0.41) | — | |
| SCHEMBL1565246 | 0.67 | HTT (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3455212-B1 | INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 | HEPTARES THERAPEUTICS LTD (GB) | 2022-02-09 | — | — | EP | disclosed |
| US-10995072-B2 | Inhibitors of protease-activated receptor-2 | HEPTARES THERAPEUTICS LIMITED (GB) | 2021-05-04 | — | — | US | disclosed |
| US-20200140392-A1 | INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 | NXERA PHARMA UK LIMITED (GB) | 2020-05-07 | — | — | US | disclosed |
| US-10550089-B2 | Inhibitors of protease-activated receptor-2 | HEPTARES THERAPEUTICS LIMITED (GB) | 2020-02-04 | — | — | US | disclosed |
| US-20190144394-A1 | INHIBITORS OF PROTEASE-ACTIVATED RECEPTOR-2 | HEPTARES THERAPEUTICS LIMITED (GB) | 2019-05-16 | — | — | US | disclosed |