⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3891882 | 0.73 | ACHE (0.57) | — | |
| P-Xylene SCHEMBL11553864 | 0.71 | ACHE (0.80) | — | |
| SCHEMBL10349782 | 0.71 | — | — | |
| Water SCHEMBL29177527 | 0.71 | ACHE (0.53) | — | |
| SCHEMBL10422684 | 0.71 | ACHE (0.53) | — | |
| P-Xylene SCHEMBL460348 | 0.71 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL11770184 | 0.71 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL11772917 | 0.71 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL771 | 0.71 | — | — | |
| SCHEMBL3901115 | 0.69 | ACHE (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-224220746-U | Preparation device of 4-chloromethyl-5-methyl-1, 3 dioxole-2-ketone | 浙江希尔化工股份有限公司 | 2026-05-12 | — | — | CN | disclosed |
| US-20210230178-A1 | TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2021-07-29 | — | — | US | disclosed |
| WO-2019036537-A1 | TRIOXACARCIN ANALOGS AND DIMERS AS POTENT ANTICANCER AGENTS | WILLIAM MARSH RICE UNIVERSITY (US) | 2019-02-21 | — | — | WO | disclosed |
| CN-208378760-U | A kind of efficient 4- chloromethyl -5- methyl-1, the preparation facilities of 3 dioxole -2- ketone | 黄冈鲁班药业股份有限公司 | 2019-01-15 | — | — | CN | disclosed |
| CN-103450146-B | Method for catalyzed synthesis of high-purity 4-chloromethyl-5-methyl-1,3-dioxol-2-one | UNIV HEFEI TECHNOLOGY | 2015-03-11 | — | — | CN | disclosed |
| CN-103450146-A | Method for catalyzed synthesis of high-purity 4-chloromethyl-5-methyl-1,3-dioxol-2-one | UNIV HEFEI TECHNOLOGY | 2013-12-18 | — | — | CN | disclosed |