⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5271041 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL28986103 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL9410590 | 0.76 | GABRA1 (0.30) | — | |
| SCHEMBL4838153 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL3638315 | 0.69 | — | — | |
| SCHEMBL1501249 | 0.67 | POLA1 (0.32) | — | |
| SCHEMBL3517582 | 0.66 | — | — | |
| SCHEMBL2551319 | 0.66 | — | — | |
| SCHEMBL7592634 | 0.66 | — | — | |
| SCHEMBL8346988 | 0.65 | — | — |
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-110613705-A | Application of tetrahydrocurcumin in preparation of medicine for treating breast cancer or/and preventing breast cancer metastasis | 四川省中医药科学院 | 2019-12-27 | — | — | CN | disclosed |