⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2651657 | 0.76 | — | — | |
| SCHEMBL14108581 | 0.70 | — | — | |
| SCHEMBL178955 | 0.67 | THRB (0.40) | — | |
| SCHEMBL8943888 | 0.65 | — | — | |
| Acetone SCHEMBL28132690 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL11249852 | 0.63 | — | — | |
| Hydrogen Sulfide SCHEMBL4448670 | 0.62 | — | — | |
| Hydrogen Sulfide SCHEMBL395177 | 0.62 | — | — | |
| SCHEMBL10426770 | 0.62 | LMNA (0.32) | — | |
| Acetic Acid SCHEMBL2248274 | 0.62 | FFAR3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996034067-A1 | COMPOSITIONS AND METHODS FOR DEHYDRATING, PASSIVATING AND SEALING SYSTEMS | SILICON RESOURCES, INC. (US) | 1996-10-31 | — | — | WO | claimed |