⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2363663 | 0.73 | — | — | |
| SCHEMBL8497775 | 0.72 | — | — | |
| SCHEMBL36915 | 0.72 | — | — | |
| SCHEMBL28093538 | 0.71 | — | — | |
| SCHEMBL8083337 | 0.70 | — | — | |
| SCHEMBL8973062 | 0.69 | — | — | |
| SCHEMBL9398110 | 0.69 | — | — | |
| SCHEMBL1969649 | 0.69 | — | — | |
| SCHEMBL3679685 | 0.69 | — | — | |
| SCHEMBL13327431 | 0.68 | ALDH1A1 (0.30) | — |
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-107698766-A | Curable compositions, method, purposes and the device of side chain polysiloxane and correlation | 道康宁公司 | 2018-02-16 | — | — | CN | disclosed |