⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7103931 | 1.00 | — | — | |
| SCHEMBL3677598 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL3667942 | 0.69 | GSR (0.32) | — | |
| SCHEMBL3667944 | 0.69 | GSR (0.32) | — | |
| SCHEMBL3678002 | 0.68 | — | — | |
| SCHEMBL3678001 | 0.68 | — | — | |
| SCHEMBL3669898 | 0.68 | — | — | |
| SCHEMBL11348891 | 0.68 | — | — | |
| SCHEMBL3680672 | 0.67 | — | — | |
| SCHEMBL7101091 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0994882-A1 | MANUFACTURE OF OPTICALLY ACTIVE HALOHYDRIN TRIALKYLSILYL ETHERS | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999002535-A1 | MANUFACTURE OF OPTICALLY ACTIVE HALOHYDRIN TRIALKYLSILYL ETHERS | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-01-21 | — | — | WO | disclosed |