⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6270090 | 0.81 | TSHR (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL7033333 | 0.78 | TSHR (0.53) | — | |
| SCHEMBL38833 | 0.75 | — | — | |
| SCHEMBL2409785 | 0.75 | TSHR (0.47) | — | |
| SCHEMBL29236883 | 0.75 | TSHR (1.00) | — | |
| SCHEMBL10211 | 0.75 | TSHR (0.56) | — | |
| SCHEMBL10545440 | 0.73 | — | — | |
| SCHEMBL3266947 | 0.73 | — | — | |
| SCHEMBL7200732 | 0.73 | — | — | |
| SCHEMBL3605439 | 0.73 | — | — |
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-20170349627-A1 | COMPOSITION CONTAINING NITROGEN HETEROCYCLIC HEXAPEPTIDE PRECURSOR AND PREPARATION METHOD AND APPLICATION THEREOF | SHANGHAI TECHWELL BIOPHARMACEUTICAL CO., LTD. (CN) | 2017-12-07 | — | — | US | disclosed |