⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3482272 | 0.71 | — | — | |
| SCHEMBL3595767 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL3482361 | 0.68 | CNR2 (0.36) | — | |
| SCHEMBL3481748 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL3482493 | 0.65 | TACR1 (0.41) | — | |
| SCHEMBL3481727 | 0.65 | TACR1 (0.39) | — | |
| SCHEMBL27542514 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL28151457 | 0.64 | ALDH1A1 (0.35) | — | |
| SCHEMBL3481898 | 0.63 | TACR1 (0.44) | — | |
| SCHEMBL8161008 | 0.63 | POLB (0.39) | — |
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-105399763-A | Synthetic method for glycidyl ether oxysilane | UNIV HUBEI SCIENCE & TECH | 2016-03-16 | — | — | CN | disclosed |