⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9256142 | 0.76 | — | — | |
| SCHEMBL8991763 | 0.76 | — | — | |
| SCHEMBL9207630 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL9261259 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL25547166 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL10024863 | 0.67 | FDPS (0.32) | — | |
| SCHEMBL10935422 | 0.65 | TSHR (0.35) | — | |
| SCHEMBL27993248 | 0.62 | FDPS (0.33) | — | |
| SCHEMBL3548406 | 0.62 | — | — | |
| SCHEMBL19231156 | 0.60 | TSHR (0.35) | — |
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-3470447-A1 | SILICON-CONTAINING COMPOUND, URETHANE RESIN, STRETCHABLE FILM, AND METHOD FOR FORMING THE SAME | Shin-Etsu Chemical Co., Ltd. (JP) | 2019-04-17 | — | — | EP | disclosed |