⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL982740 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL28192276 | 0.75 | — | — | |
| SCHEMBL1123623 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL28839686 | 0.73 | — | — | |
| SCHEMBL28171220 | 0.73 | — | — | |
| SCHEMBL27679553 | 0.73 | — | — | |
| SCHEMBL29047985 | 0.72 | — | — | |
| SCHEMBL28836980 | 0.70 | — | — | |
| SCHEMBL80572 | 0.69 | — | — | |
| SCHEMBL27664636 | 0.69 | — | — |
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-103930490-B | Silicon composition and preparation and the purposes of filling | DOW CORNING (CHINA) HOLDING Co.,Ltd. (CN) | 2016-05-18 | — | — | CN | disclosed |