⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL27475855 | 0.90 | — | — | |
| SCHEMBL27965316 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL6732428 | 0.90 | — | — | |
| SCHEMBL17873989 | 0.90 | — | — | |
| Fluoride SCHEMBL27861841 | 0.90 | — | — | |
| SCHEMBL28782875 | 0.82 | — | — | |
| Benzene SCHEMBL29110078 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL31587944 | 0.79 | — | — | |
| Boric Acid SCHEMBL28474443 | 0.79 | LMNA (0.31) | — | |
| SCHEMBL28609474 | 0.73 | ALDH1A1 (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023202470-A1 | CURABLE SILOXANE COMPOSITION AND USE THEREOF IN SKIN CARE PRODUCTS | 杜邦电子公司 | 2023-10-26 | — | — | WO | disclosed |