⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28267648 | 1.00 | — | — | |
| SCHEMBL28269030 | 0.84 | CSNK1E (0.37) | — | |
| SCHEMBL28267283 | 0.84 | CSNK1E (0.37) | — | |
| SCHEMBL28267282 | 0.84 | CSNK1E (0.37) | — | |
| SCHEMBL28269031 | 0.84 | CSNK1E (0.37) | — | |
| SCHEMBL28269022 | 0.83 | CSNK1E (0.35) | — | |
| SCHEMBL28269020 | 0.83 | CSNK1E (0.35) | — | |
| SCHEMBL28868398 | 0.79 | SIGMAR1 (0.39) | — | |
| SCHEMBL28868399 | 0.79 | SIGMAR1 (0.39) | — | |
| SCHEMBL28267287 | 0.79 | MEN1 (0.34) | — |
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-109111333-B | Chiral gem-disilyl alkane compound and synthesis method and application thereof | 浙江大学 | 2021-01-08 | — | — | CN | disclosed |
| CN-109111333-A | It is a kind of chiral together with two silicon substrate alkane compounds and its synthetic method and application | 浙江大学 | 2019-01-01 | — | — | CN | disclosed |