⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6261111 | 0.84 | L3MBTL1 (0.32) | — | |
| SCHEMBL81003 | 0.81 | L3MBTL1 (0.36) | — | |
| SCHEMBL9243970 | 0.77 | — | — | |
| SCHEMBL11541405 | 0.74 | L3MBTL1 (0.30) | — | |
| SCHEMBL28577999 | 0.74 | L3MBTL1 (0.36) | — | |
| SCHEMBL2749936 | 0.73 | CYP3A4 (0.32) | — | |
| SCHEMBL34476066 | 0.71 | — | — | |
| SCHEMBL28230031 | 0.71 | PDXK (0.36) | — | |
| SCHEMBL11681783 | 0.70 | — | — | |
| SCHEMBL50390 | 0.70 | ALDH1A1 (0.30) | — |
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-106243280-B | A kind of functionality cycloolefin/styrene copolymer and preparation method thereof | 东华大学 | 2018-07-17 | — | — | CN | disclosed |
| CN-106243280-A | A kind of functional cycloolefin/styrene copolymer and preparation method thereof | 东华大学 | 2016-12-21 | — | — | CN | disclosed |