⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3798649 | 0.75 | — | — | |
| SCHEMBL10306782 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL10937538 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL8648090 | 0.72 | — | — | |
| SCHEMBL2632408 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL809181 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL1791710 | 0.69 | — | — | |
| SCHEMBL60827 | 0.69 | — | — | |
| SCHEMBL2329755 | 0.69 | — | — | |
| SCHEMBL17061094 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110114358-B | Novel compound and pharmacologically acceptable salt thereof | 明治制果药业株式会社 | 2021-12-03 | — | — | CN | disclosed |