⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6454684 | 1.00 | — | — | |
| SCHEMBL6047489 | 1.00 | — | — | |
| SCHEMBL6444264 | 0.93 | ALDH1A1 (0.31) | — | |
| SCHEMBL6047478 | 0.88 | — | — | |
| SCHEMBL6047484 | 0.87 | — | — | |
| SCHEMBL28770931 | 0.77 | — | — | |
| SCHEMBL28770927 | 0.77 | — | — | |
| SCHEMBL18496519 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL18496521 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL28869576 | 0.76 | — | — |
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-1620514-A2 | SILYL ESTERS, THEIR USE IN BINDER SYSTEMS AND PAINT COMPOSITIONS AND A PROCESS OF PRODUCTION THEREOF | SigmaKalon B.V. (NL) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004099326-A2 | SILYL ESTERS, THEIR USE IN BINDER SYSTEMS AND PAINT COMPOSITIONS AND A PROCESS OF PRODUCTION THEREOF | SIGMAKALON B.V. (NL) | 2004-11-18 | — | — | WO | disclosed |