⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28143244 | 0.84 | — | — | |
| SCHEMBL28190965 | 0.84 | CYP2C19 (0.41) | — | |
| SCHEMBL10980992 | 0.82 | — | — | |
| SCHEMBL2760535 | 0.82 | — | — | |
| SCHEMBL10523637 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL7049665 | 0.78 | — | — | |
| SCHEMBL10883465 | 0.78 | — | — | |
| SCHEMBL27389221 | 0.76 | — | — | |
| SCHEMBL14246414 | 0.76 | — | — | |
| SCHEMBL10522750 | 0.75 | CYP2C9 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3717545-A1 | METHOD FOR PREPARING SIOC-LINKED POLYETHER SILOXANES BRANCHED IN THE SILOXANE PART | Evonik Operations GmbH (DE) | 2020-10-07 | — | — | EP | disclosed |