⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28719019 | 0.84 | CES1 (0.62) | — | |
| SCHEMBL17114371 | 0.80 | CES2 (0.65) | — | |
| Ammonia Solution, Strong SCHEMBL19810014 | 0.79 | CES2 (0.62) | — | |
| SCHEMBL7939719 | 0.77 | — | — | |
| SCHEMBL9695768 | 0.76 | — | — | |
| SCHEMBL108642 | 0.75 | CES1 (1.00) | — | |
| SCHEMBL3208067 | 0.74 | CES1 (0.52) | — | |
| SCHEMBL17103723 | 0.74 | CES1 (0.60) | — | |
| SCHEMBL28480466 | 0.74 | CES1 (0.52) | — | |
| SCHEMBL5032513 | 0.72 | HIF1A (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101693693-B | Method for preparing 2-propyl imidazole | ZHOUHUA ZENG | 2011-07-27 | — | — | CN | claimed |
| CN-111164194-B | Structured unit dose cleaning products | 路博润先进材料公司 | 2022-10-25 | — | — | CN | disclosed |
| CN-111164194-A | Structured unit dose cleaning products | 路博润先进材料公司 | 2020-05-15 | — | — | CN | disclosed |
| EP-3129003-A1 | FOOD MATRICES AND METHODS OF MAKING AND USING | University of Massachusetts (US) | 2017-02-15 | — | — | EP | disclosed |
| WO-2015157455-A1 | FOOD MATRICES AND METHODS OF MAKING AND USING | UNIVERSITY OF MASSACHUSETTS (US) | 2015-10-15 | — | — | WO | disclosed |
| CN-101056855-B | Nitrogen-containing heterocyclic derivative and drug containing same as active ingredient | ONO PHARMACEUTICAL CO | 2011-06-15 | — | — | CN | disclosed |
| CN-101775013-A | Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient | ONO PHARMACEUTICAL CO | 2010-07-14 | — | — | CN | disclosed |
| CN-101056855-A | Nitrogen-containing heterocyclic derivative and drug containing same as active ingredient | ONO PHARMACEUTICAL CO (JP) | 2007-10-17 | — | — | CN | disclosed |