⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9427225 | 0.79 | — | — | |
| SCHEMBL570532 | 0.76 | TSHR (0.30) | — | |
| SCHEMBL9015297 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL27686626 | 0.69 | TSHR (0.36) | — | |
| SCHEMBL9390781 | 0.67 | — | — | |
| SCHEMBL17491820 | 0.66 | SMPD1 (0.40) | — | |
| SCHEMBL28187132 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL1410542 | 0.65 | TSHR (0.40) | — | |
| SCHEMBL811537 | 0.63 | TSHR (0.44) | — | |
| SCHEMBL5498660 | 0.63 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0746551-B1 | OPTICALLY PURE 4-ARYL-2-HYDROXYTETRONIC ACIDS | UNIV OHIO STATE RES FOUND (US) | 2002-09-04 | — | — | EP | disclosed |