⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27470507 | 0.72 | — | — | |
| SCHEMBL3150356 | 0.71 | — | — | |
| SCHEMBL27790568 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL27792158 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL7009241 | 0.67 | — | — | |
| SCHEMBL5441236 | 0.65 | — | — | |
| SCHEMBL3150727 | 0.65 | ALDH1A1 (0.32) | — | |
| SCHEMBL11495947 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL4719692 | 0.61 | ALDH1A1 (0.39) | — | |
| SCHEMBL4582775 | 0.61 | ALDH1A1 (0.32) | — |
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-106317099-A | Aminoalkylalkoxydisiloxane compound and method for preparing the same | 信越化学工业株式会社 | 2017-01-11 | — | — | CN | disclosed |