⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27679549 | 0.77 | — | — | |
| Propane SCHEMBL28840302 | 0.75 | — | — | |
| SCHEMBL969369 | 0.71 | SHBG (0.31) | — | |
| SCHEMBL28257649 | 0.71 | — | — | |
| SCHEMBL951159 | 0.70 | — | — | |
| SCHEMBL28210935 | 0.70 | — | — | |
| Methoxymethane SCHEMBL649174 | 0.70 | — | — | |
| SCHEMBL1476805 | 0.68 | FOLH1 (0.33) | — | |
| SCHEMBL6537448 | 0.67 | TSHR (0.34) | — | |
| SCHEMBL9001327 | 0.67 | — | — |
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-109456354-A | A kind of norbornene organic group dialkoxysilane compounds, preparation method and its application | 中国石化扬子石油化工有限公司 | 2019-03-12 | — | — | CN | disclosed |