⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15302345 | 0.77 | — | — | |
| SCHEMBL3482437 | 0.73 | — | — | |
| SCHEMBL1262042 | 0.70 | — | — | |
| SCHEMBL3482300 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL8927183 | 0.67 | — | — | |
| SCHEMBL8405469 | 0.65 | — | — | |
| SCHEMBL1314322 | 0.65 | — | — | |
| SCHEMBL25437435 | 0.64 | — | — | |
| SCHEMBL118888 | 0.64 | — | — | |
| SCHEMBL319954 | 0.64 | — | — |
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-5096991-A | Monomer from dihydroxy aromatic compound and haloalkylsilanol, elasticity, strength | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1992-03-17 | — | — | US | disclosed |