⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL11326424 | 0.78 | — | — | |
| SCHEMBL2176730 | 0.78 | — | — | |
| Alcohol SCHEMBL2727194 | 0.74 | ALDH1A1 (0.67) | — | |
| Alcohol SCHEMBL3342049 | 0.74 | — | — | |
| SCHEMBL29958700 | 0.71 | — | — | |
| Alcohol SCHEMBL648194 | 0.70 | ALDH1A1 (0.60) | — | |
| Alcohol SCHEMBL28601881 | 0.70 | — | — | |
| SCHEMBL11232941 | 0.70 | — | — | |
| Ethylamine SCHEMBL3751080 | 0.70 | — | — | |
| Ethylamine SCHEMBL16514057 | 0.70 | ALDH1A1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100381526-C | Composition for forming porous film, porous film and method for forming the same, interlevel insulator film and semiconductor device | SHINETSU CHEMICAL CO (JP) | 2008-04-16 | — | — | CN | disclosed |