⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15878857 | 0.85 | ESR1 (0.33) | — | |
| SCHEMBL1928067 | 0.80 | ESR1 (0.31) | — | |
| SCHEMBL2600710 | 0.79 | — | — | |
| SCHEMBL28545292 | 0.78 | — | — | |
| SCHEMBL16405688 | 0.76 | — | — | |
| SCHEMBL12565227 | 0.75 | — | — | |
| SCHEMBL18094252 | 0.75 | ESR1 (0.33) | — | |
| SCHEMBL2369735 | 0.75 | ESR1 (0.33) | — | |
| SCHEMBL22772249 | 0.74 | MAPT (0.30) | — | |
| SCHEMBL15830979 | 0.74 | — | — |
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-108003348-B | Siloxane bridged ladder-shaped polysiloxane, preparation method and application thereof | 长兴（中国）投资有限公司 | 2021-02-23 | — | — | CN | disclosed |