⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4366095 | 0.91 | — | — | |
| Bromide SCHEMBL2514101 | 0.84 | — | — | |
| Bromide SCHEMBL28827621 | 0.83 | — | — | |
| SCHEMBL29429166 | 0.77 | — | — | |
| SCHEMBL87312 | 0.72 | CYP3A4 (0.32) | — | |
| SCHEMBL12637024 | 0.72 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL4527660 | 0.71 | TSHR (0.34) | — | |
| Bromide SCHEMBL1045354 | 0.70 | CYP3A4 (0.31) | — | |
| Iodide SCHEMBL2341578 | 0.70 | CYP3A4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL572769 | 0.70 | CYP3A4 (0.31) | — |
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-2023129602-A1 | CATALYST, METHOD OF PREPARATION, AND METHODS INVOLVING HYDROSILYLATION | DOW SILICONES CORPORATION (US) | 2023-07-06 | — | — | WO | disclosed |