⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20952935 | 0.70 | — | — | |
| SCHEMBL22023874 | 0.68 | — | — | |
| SCHEMBL22624170 | 0.67 | — | — | |
| SCHEMBL21933677 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL2262554 | 0.64 | — | — | |
| SCHEMBL277137 | 0.62 | — | — | |
| SCHEMBL8559314 | 0.62 | TSHR (0.35) | — | |
| SCHEMBL275706 | 0.62 | — | — | |
| SCHEMBL10429784 | 0.57 | TSHR (0.31) | — | |
| SCHEMBL19287559 | 0.56 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210024498-A1 | TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF | MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) | 2021-01-28 | — | — | US | disclosed |