⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28505856 | 0.82 | CSNK1E (0.41) | — | |
| SCHEMBL28507149 | 0.82 | CSNK1E (0.41) | — | |
| SCHEMBL28504150 | 0.80 | CSNK1E (0.38) | — | |
| SCHEMBL28604372 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL28904693 | 0.72 | CNR2 (0.40) | — | |
| SCHEMBL28498546 | 0.70 | TDP1 (0.40) | — | |
| SCHEMBL28514841 | 0.70 | TAAR1 (0.41) | — | |
| SCHEMBL28599439 | 0.70 | TSHR (0.42) | — | |
| SCHEMBL28496430 | 0.69 | LMNA (0.37) | — | |
| SCHEMBL28504152 | 0.68 | — | — |
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-109503645-B | Chiral gem-disilyl alkane compound containing four silicon-hydrogen bonds and synthesis method and application thereof | 浙江大学 | 2021-08-03 | — | — | CN | disclosed |