⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL998175 | 0.83 | — | — | |
| SCHEMBL21197612 | 0.81 | — | — | |
| SCHEMBL11367702 | 0.78 | ATP1A1 (0.34) | — | |
| SCHEMBL2962249 | 0.76 | — | — | |
| SCHEMBL15543813 | 0.75 | — | — | |
| SCHEMBL25189574 | 0.73 | SHBG (0.31) | — | |
| SCHEMBL8054614 | 0.73 | SHBG (0.31) | — | |
| SCHEMBL28855138 | 0.73 | — | — | |
| SCHEMBL28323462 | 0.72 | SLC1A2 (0.32) | — | |
| SCHEMBL19446732 | 0.71 | L3MBTL1 (0.32) | — |
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-106458883-A | Chlorine resistant polyethylene compounds and articles made therefrom | 弗纳技术股份有限公司 | 2017-02-22 | — | — | CN | claimed |
| CN-106458883-A | Chlorine resistant polyethylene compounds and articles made therefrom | 弗纳技术股份有限公司 | 2017-02-22 | — | — | CN | disclosed |