⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL322299 | 0.74 | — | — | |
| SCHEMBL6814755 | 0.74 | L3MBTL1 (0.35) | — | |
| SCHEMBL1698587 | 0.72 | — | — | |
| SCHEMBL28754859 | 0.72 | — | — | |
| SCHEMBL12469003 | 0.72 | — | — | |
| SCHEMBL28141287 | 0.70 | — | — | |
| SCHEMBL6376109 | 0.70 | L3MBTL1 (0.33) | — | |
| SCHEMBL8499223 | 0.68 | SLC1A3 (0.38) | — | |
| SCHEMBL1618297 | 0.68 | — | — | |
| SCHEMBL13733217 | 0.68 | L3MBTL1 (0.33) | — |
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-106147693-A | A and ketoxime type single-component room temperature vulcanized silicone rubber | 刘方旭 | 2016-11-23 | — | — | CN | disclosed |