⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL537944 | 0.82 | — | — | |
| SCHEMBL23303 | 0.82 | — | — | |
| Water SCHEMBL28228405 | 0.78 | — | — | |
| SCHEMBL947476 | 0.78 | — | — | |
| SCHEMBL16264308 | 0.78 | ALDH1A1 (0.39) | — | |
| Fluoride SCHEMBL27862301 | 0.78 | — | — | |
| SCHEMBL15437113 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL7939438 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL2524388 | 0.78 | ALDH1A1 (0.39) | — | |
| Methyl Alcohol SCHEMBL28261152 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115572307-B | Silicone composition and use thereof | 江苏南大光电材料股份有限公司 | 2023-08-11 | — | — | CN | disclosed |