⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28119907 | 0.64 | — | — | |
| SCHEMBL5474668 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL3108443 | 0.62 | — | — | |
| SCHEMBL315166 | 0.59 | — | — | |
| SCHEMBL27702437 | 0.59 | — | — | |
| SCHEMBL14777875 | 0.59 | — | — | |
| SCHEMBL432980 | 0.57 | ALDH1A1 (0.32) | — | |
| Methoxymethane SCHEMBL28891257 | 0.55 | — | — | |
| SCHEMBL74926 | 0.54 | — | — | |
| SCHEMBL30404213 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2231740-B1 | MOISTURE-CURABLE SILYLATED POLYUREA AND ADHESIVE, SEALANT AND COATING COMPOSITIONS CONTAINING SAME | MOMENTIVE PERFORMANCE MAT INC (US) | 2011-08-24 | — | — | EP | claimed |