⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9745276 | 0.62 | — | — | |
| SCHEMBL14915471 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL14914216 | 0.62 | TSHR (0.32) | — | |
| SCHEMBL2541194 | 0.60 | TSHR (0.43) | — | |
| SCHEMBL5953560 | 0.60 | — | — | |
| SCHEMBL1030197 | 0.60 | TSHR (0.43) | — | |
| SCHEMBL11559140 | 0.60 | TSHR (0.35) | — | |
| SCHEMBL21925335 | 0.60 | TSHR (0.35) | — | |
| SCHEMBL14915766 | 0.60 | TSHR (0.35) | — | |
| SCHEMBL10933205 | 0.58 | TSHR (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115260211-B | Thiophene condensed ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-02-06 | — | — | CN | disclosed |
| CN-115260211-A | Thiophene fused ring containing derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-01 | — | — | CN | disclosed |