⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5910762 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL11321161 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL11058301 | 0.75 | — | — | |
| SCHEMBL7080599 | 0.69 | PKM (0.42) | — | |
| SCHEMBL28294612 | 0.63 | — | — | |
| SCHEMBL594047 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL21847348 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL732446 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL2128924 | 0.62 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL6360096 | 0.61 | — | — |
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-116348554-A | Two-part condensation curable silicone compositions and their use | 美国陶氏有机硅公司 | 2023-06-27 | — | — | CN | disclosed |