⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL952948 | 0.82 | TSHR (0.41) | — | |
| SCHEMBL11803393 | 0.80 | — | — | |
| SCHEMBL11810582 | 0.80 | — | — | |
| SCHEMBL11809874 | 0.76 | ALDH1A1 (0.43) | — | |
| SCHEMBL9010894 | 0.73 | — | — | |
| SCHEMBL11806871 | 0.73 | TSHR (0.37) | — | |
| SCHEMBL11805487 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL11806976 | 0.72 | TSHR (0.36) | — | |
| SCHEMBL27688025 | 0.72 | TSHR (0.48) | — | |
| SCHEMBL11807805 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3935342-A | POLYMERIZATION WITH AN UNSATURATED SILYL MONOMER | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-01-27 | — | — | US | disclosed |