⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2898659 | 0.79 | MAPK1 (0.48) | — | |
| SCHEMBL11811827 | 0.77 | — | — | |
| SCHEMBL3617067 | 0.77 | RNPEP (0.32) | — | |
| SCHEMBL443578 | 0.77 | — | — | |
| SCHEMBL27946027 | 0.74 | — | — | |
| SCHEMBL14580312 | 0.73 | — | — | |
| SCHEMBL21328524 | 0.73 | — | — | |
| SCHEMBL6890756 | 0.73 | — | — | |
| SCHEMBL27934464 | 0.73 | — | — | |
| SCHEMBL27269789 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103173194-A | Stable imidazoline solutions | AFTON CHEMICAL CORP | 2013-06-26 | — | — | CN | disclosed |
| CN-101024629-A | Stable imidazoline solutions | AFTON CHEMICAL CORP (US) | 2007-08-29 | — | — | CN | disclosed |
| CN-1305924-C | Silyl group-containing prepolymers, their production and use in polyurethane foams | HENKEL KGAA (DE) | 2007-03-21 | — | — | CN | disclosed |
| CN-1711299-A | Prepolymers containing silyl groups, the production thereof and the use of the same in polyurethane foams | HENKEL KGAA (DE) | 2005-12-21 | — | — | CN | disclosed |
| US-3933424-A | Modified sulfonated resin surfactants | WESTVACO CORPORATION (US) | 1976-01-20 | — | — | US | disclosed |