⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL259323 | 0.90 | TSHR (0.33) | — | |
| SCHEMBL11553274 | 0.79 | GAA (0.40) | — | |
| SCHEMBL6678762 | 0.77 | GAA (0.30) | — | |
| SCHEMBL12467963 | 0.67 | — | — | |
| SCHEMBL25270882 | 0.66 | TSHR (0.40) | — | |
| SCHEMBL8598624 | 0.62 | GAA (0.32) | — | |
| SCHEMBL4437194 | 0.59 | — | — | |
| SCHEMBL1305578 | 0.59 | TSHR (0.33) | — | |
| SCHEMBL21618364 | 0.58 | TSHR (0.33) | — | |
| SCHEMBL4747481 | 0.57 | TSHR (0.32) | — |
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-6426080-B1 | PLANT EXTRACT | COTY, B.V. (NL) | 2002-07-30 | — | — | US | disclosed |