⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL170210 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL5681443 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL1472842 | 0.77 | TSHR (0.39) | — | |
| Malonic Acid SCHEMBL5875306 | 0.75 | LDHA (0.47) | — | |
| Glycolic Acid SCHEMBL1830773 | 0.75 | LDHA (0.33) | — | |
| Bicarbonate SCHEMBL1832825 | 0.75 | TSHR (0.35) | — | |
| Cadaverine Tartrate SCHEMBL1835489 | 0.74 | TSHR (0.46) | — | |
| Dichloroacetic Acid SCHEMBL5874161 | 0.74 | LMNA (0.46) | — | |
| Succinic Acid SCHEMBL1832871 | 0.73 | EGLN1 (0.45) | — | |
| SCHEMBL11222238 | 0.73 | TSHR (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0004113-B1 | DETERGENT COMPOSITIONS CONTAINING MODIFIED (CAPPED) SILICATES | THE PROCTER & GAMBLE COMPANY (US) | 1982-10-27 | — | — | EP | disclosed |
| EP-0004112-B1 | MODIFIED SILICATES | THE PROCTER & GAMBLE COMPANY (US) | 1982-08-11 | — | — | EP | disclosed |
| US-4157978-A | ENDCAPPED WITH AN ACYLATED METAL GROUP, DETERGENTS | THE PROCTER & GAMBLE COMPANY (US) | 1979-06-12 | — | — | US | disclosed |