⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24929113 | 1.00 | — | — | |
| SCHEMBL19592339 | 0.95 | CA1 (0.32) | — | |
| SCHEMBL2288404 | 0.95 | CA1 (0.32) | — | |
| SCHEMBL20380947 | 0.93 | CA1 (0.31) | — | |
| SCHEMBL23710754 | 0.85 | — | — | |
| SCHEMBL14620937 | 0.82 | CA1 (0.43) | — | |
| SCHEMBL2260665 | 0.77 | CA1 (0.48) | — | |
| SCHEMBL2263208 | 0.77 | EPHX1 (0.34) | — | |
| SCHEMBL12493673 | 0.76 | — | — | |
| SCHEMBL15627624 | 0.76 | — | — |
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-2023007188-A1 | PHENYL-SULFAMOYL-BENZOIC ACID DERIVATIVES AS ERAP1- MODULATORS | Grey Wolf Therapeutics Limited (GB) | 2023-02-02 | — | — | WO | disclosed |