⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL679513 | 0.82 | — | — | |
| Trimethylammonium SCHEMBL2734432 | 0.75 | — | — | |
| Trimethylammonium SCHEMBL27792584 | 0.72 | CA5A (0.61) | — | |
| Dimethylnitramide SCHEMBL3244827 | 0.70 | — | — | |
| Trimethylammonium SCHEMBL28191606 | 0.69 | ALDH1A1 (0.39) | — | |
| Dimethylnitramide SCHEMBL11793506 | 0.67 | — | — | |
| SCHEMBL1259013 | 0.66 | — | — | |
| SCHEMBL2166963 | 0.61 | — | — | |
| SCHEMBL2166972 | 0.61 | — | — | |
| SCHEMBL11128698 | 0.61 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100369907-C | Method for producing epoxy propane | SUMITOMO CHEM ENG (JP) | 2008-02-20 | — | — | CN | disclosed |
| CN-1234699-C | Heterogeneous epoxidation catalyst | ARCO CHEM TECH (US) | 2006-01-04 | — | — | CN | disclosed |
| CN-1216048-C | Process for preparing propylene oxide | SUMITOMO CHEMICAL CO (JP) | 2005-08-24 | — | — | CN | disclosed |
| CN-1376152-A | Heterogeneous epoxidation catalyst | ARCO CHEM TECH (US) | 2002-10-23 | — | — | CN | disclosed |
| CN-1250775-A | Method for producing epoxy propane | SUMITOMO CHEM ENG (JP) | 2000-04-19 | — | — | CN | disclosed |
| CN-1248579-A | Process for preparing propylene oxide | SUMITOMO CHEMICAL CO (JP) | 2000-03-29 | — | — | CN | disclosed |
| CN-1021909-C | PROCESS FOR PREPARATION OF OXIRANE COMPOUND | SHELL INT RESEARCH (NC) | 1993-08-25 | — | — | CN | disclosed |
| CN-1039418-A | A kind of preparation method of oxirane compound | SHELL INT RESEARCH (NL) | 1990-02-07 | — | — | CN | disclosed |