⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL475948 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL6882307 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL475920 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL6545459 | 0.74 | LMNA (0.39) | — | |
| SCHEMBL703538 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL707411 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL28747343 | 0.72 | MIF (0.33) | — | |
| SCHEMBL6545875 | 0.69 | LMNA (0.40) | — | |
| SCHEMBL703028 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL6545187 | 0.68 | LMNA (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004005302-A1 | PROCESS FOR THE PREPARATION OF ACYLOXYSILANES | SIGMA COATINGS B.V. (NL) | 2004-01-15 | — | — | WO | disclosed |
| EP-1378514-A1 | Process for the preparation of acyloxysilanes | SigmaKalon Group B.V. (NL) | 2004-01-07 | — | — | EP | disclosed |