⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30019958 | 1.00 | — | — | |
| SCHEMBL29151881 | 0.84 | HPGD (0.32) | — | |
| SCHEMBL30019640 | 0.83 | POLB (0.35) | — | |
| SCHEMBL24690181 | 0.83 | POLB (0.35) | — | |
| SCHEMBL24689992 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL29151879 | 0.79 | ADORA1 (0.38) | — | |
| SCHEMBL30019672 | 0.72 | MEN1 (0.43) | — | |
| SCHEMBL30746078 | 0.71 | — | — | |
| SCHEMBL29151873 | 0.71 | — | — | |
| SCHEMBL30746077 | 0.70 | GSK3B (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117529472-A | GPR35 agonist compounds | 赫普泰雅治疗有限公司 | 2024-02-06 | — | — | CN | claimed |
| CN-117529472-A | GPR35 agonist compounds | 赫普泰雅治疗有限公司 | 2024-02-06 | — | — | CN | disclosed |
| WO-2022224212-A1 | GPR35 AGONIST COMPOUNDS | HEPTARES THERAPEUTICS LIMITED (GB) | 2022-10-27 | — | — | WO | disclosed |