⚠ 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 | |
|---|---|---|---|---|
| Acrolein SCHEMBL757029 | 0.89 | — | — | |
| Acrolein SCHEMBL8634490 | 0.87 | ALDH1A1 (0.59) | — | |
| Acrolein SCHEMBL27387012 | 0.86 | — | — | |
| Acrolein SCHEMBL4626653 | 0.85 | ALDH1A1 (0.44) | — | |
| Acrolein SCHEMBL19970660 | 0.85 | — | — | |
| Acrolein SCHEMBL7562157 | 0.84 | — | — | |
| Butadiene SCHEMBL4649606 | 0.84 | — | — | |
| Acrolein SCHEMBL17254500 | 0.83 | ALDH1A1 (0.50) | — | |
| Acrylic Acid SCHEMBL10985441 | 0.81 | LMNA (0.59) | — | |
| Acrolein SCHEMBL3679038 | 0.81 | — | — |
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-112645551-A | Community living excrement treatment method | 河南宏景建筑工程有限公司 | 2021-04-13 | — | — | CN | disclosed |
| CN-101679334-B | Epichlorohydrin, manufacturing process and use | SOLVAY | 2013-01-02 | — | — | CN | disclosed |
| CN-101679334-A | Epoxy chloropropane, its production method and purposes | SOLVAY | 2010-03-24 | — | — | CN | disclosed |
| WO-2005074729-A1 | FILTER FOR REDUCING THE HARMFUL SUBSTANCES PRESENT IN SMOKE | BIOIBERICA, S.A. (ES) | 2005-08-18 | — | — | WO | disclosed |
| US-4005114-A | Distillation of propylene oxide from propylene oxidation reaction product in mixture with a phosphoric acid ester | RHONE-POULENC INDUSTRIES (FR) | 1977-01-25 | — | — | US | disclosed |