⚠ 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL28779108 | 0.91 | — | — | |
| SCHEMBL27757292 | 0.86 | — | — | |
| Bromide SCHEMBL29283486 | 0.85 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL28827811 | 0.85 | GNAI3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL11893732 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL28504414 | 0.83 | — | — | |
| SCHEMBL28294174 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL503687 | 0.83 | LMNA (0.32) | — | |
| SCHEMBL29283487 | 0.82 | — | — | |
| SCHEMBL28827817 | 0.82 | — | — |
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-101397307-A | Method for preparing bisulphate ion liquid containing siloxane | UNIV GUANGDONG TECHNOLOGY (CN) | 2009-04-01 | — | — | CN | disclosed |