⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11544561 | 0.86 | EGLN1 (0.32) | — | |
| SCHEMBL4323713 | 0.82 | LDHA (0.40) | — | |
| SCHEMBL11684398 | 0.80 | LDHA (0.38) | — | |
| Malonic Acid SCHEMBL5875306 | 0.78 | LDHA (0.47) | — | |
| SCHEMBL4323705 | 0.76 | TSHR (0.39) | — | |
| Glycolic Acid SCHEMBL1830773 | 0.74 | LDHA (0.33) | — | |
| Bicarbonate SCHEMBL1832825 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL11299016 | 0.73 | — | — | |
| Succinic Acid SCHEMBL1832871 | 0.72 | EGLN1 (0.45) | — | |
| Oxalic Acid SCHEMBL1401648 | 0.71 | TSHR (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0004113-A2 | Detergent compositions containing modified (capped) silicates | THE PROCTER & GAMBLE COMPANY (US) | 1979-09-19 | — | — | EP | disclosed |
| EP-0004112-A2 | Modified silicates | THE PROCTER & GAMBLE COMPANY (US) | 1979-09-19 | — | — | EP | disclosed |