⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3638966 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL16287804 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL5875410 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL6469234 | 0.74 | — | — | |
| SCHEMBL9059143 | 0.73 | — | — | |
| SCHEMBL2120545 | 0.71 | LMNA (0.35) | — | |
| SCHEMBL3065267 | 0.71 | — | — | |
| SCHEMBL3645617 | 0.70 | — | — | |
| SCHEMBL16014401 | 0.70 | — | — | |
| Ethylene Glycol SCHEMBL11847643 | 0.70 | TSHR (0.38) | — |
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-0832964-A1 | Liquid stable thickened cleaning compositions | THE PROCTER & GAMBLE COMPANY (US) | 1998-04-01 | — | — | EP | disclosed |