⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20359759 | 0.79 | — | — | |
| SCHEMBL5134044 | 0.78 | — | — | |
| SCHEMBL28150811 | 0.78 | — | — | |
| SCHEMBL66057 | 0.76 | LMNA (0.35) | — | |
| SCHEMBL28210935 | 0.72 | — | — | |
| Methylamine SCHEMBL28051475 | 0.71 | LMNA (0.32) | — | |
| Propane SCHEMBL27920210 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL28151730 | 0.70 | — | — | |
| SCHEMBL14761128 | 0.69 | KDM4E (0.40) | — | |
| Cyclohexylamine SCHEMBL28051473 | 0.69 | MMP8 (0.35) | — |
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-106632451-A | Norbornylene-alkyl-dialkoxysilane and preparation method thereof | 临邑县鲁晶化工有限公司 | 2017-05-10 | — | — | CN | disclosed |