⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25802058 | 0.93 | EPHX2 (0.33) | — | |
| SCHEMBL25802150 | 0.92 | — | — | |
| SCHEMBL25802147 | 0.92 | NFKB1 (0.33) | — | |
| SCHEMBL23578225 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL25801983 | 0.91 | CYP1A2 (0.33) | — | |
| SCHEMBL25802050 | 0.91 | — | — | |
| SCHEMBL25802051 | 0.88 | NFKB1 (0.32) | — | |
| SCHEMBL25802174 | 0.85 | MAPT (0.31) | — | |
| SCHEMBL23588134 | 0.84 | EPHX2 (0.33) | — | |
| SCHEMBL25802181 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230219907-A1 | CARBOXY DERIVATIVES WITH ANTIINFLAMATORY PROPERTIES | SITRYX THERAPEUTICS LIMITED (GB) | 2023-07-13 | — | — | US | disclosed |