⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27792192 | 0.74 | — | — | |
| Alcohol SCHEMBL7138133 | 0.60 | ALDH1A1 (0.55) | — | |
| SCHEMBL5218832 | 0.59 | — | — | |
| SCHEMBL436121 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL9794484 | 0.56 | — | — | |
| Fluoride SCHEMBL15349530 | 0.56 | — | — | |
| SCHEMBL10401438 | 0.56 | — | — | |
| SCHEMBL1403649 | 0.56 | — | — | |
| SCHEMBL15796030 | 0.54 | — | — | |
| SCHEMBL2008 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112657552-A | Vanadium-phosphorus-oxygen low-temperature denitration catalyst and molding preparation method thereof | 安徽欣创节能环保科技股份有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-110283278-A | A kind of Polydicyclopentadiencomposite composite material and preparation method thereof | 宁波大学 | 2019-09-27 | — | — | CN | disclosed |