⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27798577 | 0.77 | ADH1B (0.31) | — | |
| SCHEMBL15578331 | 0.70 | — | — | |
| SCHEMBL15512944 | 0.67 | — | — | |
| SCHEMBL555220 | 0.67 | ADH1B (0.37) | — | |
| SCHEMBL8763216 | 0.65 | — | — | |
| SCHEMBL15534329 | 0.65 | TRPA1 (0.35) | — | |
| Formic Acid SCHEMBL27844582 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL8764084 | 0.65 | — | — | |
| SCHEMBL27707095 | 0.65 | — | — | |
| SCHEMBL359922 | 0.64 | ALDH1A1 (0.33) | — |
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-2009147024-A1 | BINDERS BASED ON POLYMERS CONTAINING ALPHA-SILANE GROUPS | WACKER CHEMIE AG (DE) | 2009-12-10 | — | — | WO | disclosed |
| WO-2009033908-A2 | MOISTURE CROSS-LINKABLE POLYMERS BASED ON ALPHA-HETEROATOM SUBSTITUTED SILANES | WACKER CHEMIE AG (DE) | 2009-03-19 | — | — | WO | disclosed |