⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL57189 | 0.80 | — | — | |
| SCHEMBL9537709 | 0.79 | — | — | |
| SCHEMBL9537751 | 0.78 | — | — | |
| SCHEMBL111511 | 0.78 | — | — | |
| SCHEMBL190730 | 0.76 | — | — | |
| SCHEMBL1136095 | 0.76 | — | — | |
| SCHEMBL28371607 | 0.76 | — | — | |
| SCHEMBL10891054 | 0.76 | LMNA (0.31) | — | |
| SCHEMBL10579454 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL3679851 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0549626-A1 | MOISTURE-SETTING ALKOXYSILANE-TERMINATED POLYURETHANES. | HENKEL KGAA (DE) | 1993-07-07 | — | — | EP | claimed |
| WO-1992005212-A1 | MOISTURE-SETTING ALKOXYSILANE-TERMINATED POLYURETHANES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1992-04-02 | — | — | WO | claimed |
| EP-0040497-B1 | FOUNDRY AGGREGATE BINDER COMPOSITIONS AND THEIR USE | OCCIDENTAL CHEMICAL CORPORATION (US) | 1983-10-26 | — | — | EP | disclosed |
| EP-0048461-A2 | Vinyl resin composition containing silyl groups and a paint comprising said composition | KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1982-03-31 | — | — | EP | disclosed |