⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL523323 | 0.82 | — | — | |
| SCHEMBL9776680 | 0.76 | — | — | |
| SCHEMBL301942 | 0.74 | — | — | |
| SCHEMBL17802508 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL29901166 | 0.71 | — | — | |
| SCHEMBL11282221 | 0.70 | TSHR (0.31) | — | |
| Potassium Ion SCHEMBL28299387 | 0.68 | — | — | |
| SCHEMBL25217166 | 0.67 | — | — | |
| SCHEMBL30808355 | 0.67 | — | — | |
| SCHEMBL216024 | 0.63 | — | — |
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-103450250-B | A kind of preparation method of methyl ethyl cyclosiloxane | 威海新元化工有限公司 | 2016-09-07 | — | — | CN | disclosed |