⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9813035 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL9813019 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL9812971 | 0.77 | — | — | |
| SCHEMBL9812962 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL703922 | 0.73 | — | — | |
| SCHEMBL3481652 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL3481466 | 0.69 | — | — | |
| SCHEMBL18563867 | 0.69 | ADRB2 (0.31) | — | |
| SCHEMBL9812976 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL9813037 | 0.67 | TSHR (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0207634-B1 | BONDING PRIMER COMPOSITION | Toray Silicone Company, Ltd. (JP) | 1991-08-07 | — | — | EP | disclosed |
| US-4681636-A | T-BUTYLPEROXYSILANE, DI- OR POLYALKOXY SILICON COMPOUND, ORGANOTITANATE ESTER, SOLVENT | TORAY SILICONE CO., LTD. (JP) | 1987-07-21 | — | — | US | disclosed |
| EP-0207634-A2 | Bonding primer composition | Toray Silicone Company, Ltd. (JP) | 1987-01-07 | — | — | EP | disclosed |