⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31221647 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL13002907 | 0.82 | — | — | |
| SCHEMBL5031095 | 0.80 | — | — | |
| SCHEMBL292853 | 0.77 | — | — | |
| SCHEMBL13151054 | 0.74 | — | — | |
| SCHEMBL8160021 | 0.74 | ALDH1A1 (0.36) | — | |
| Ether SCHEMBL7679560 | 0.72 | ALDH1A1 (0.46) | — | |
| Ether SCHEMBL28410305 | 0.72 | ALDH1A1 (0.36) | — | |
| Ether SCHEMBL28723305 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL30593842 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210122769-A1 | SILOXANE COMPOUND AND A METHOD FOR PREPARING THE SAME | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-04-29 | — | — | US | disclosed |
| EP-3663303-A1 | SILOXANE COMPOUND AND PRODUCTION METHOD FOR SAME | Shin-Etsu Chemical Co., Ltd. (JP) | 2020-06-10 | — | — | EP | disclosed |