⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7460196 | 0.91 | — | — | |
| Chloromethane SCHEMBL6905936 | 0.86 | — | — | |
| SCHEMBL1736341 | 0.85 | ALDH1A1 (0.40) | — | |
| SCHEMBL30 | 0.85 | — | — | |
| SCHEMBL124190 | 0.85 | — | — | |
| Methylene Chloride SCHEMBL187626 | 0.82 | ALDH1A1 (0.36) | — | |
| Hypochlorous Acid SCHEMBL1019174 | 0.82 | — | — | |
| Chlorolithium SCHEMBL9474737 | 0.82 | — | — | |
| SCHEMBL7628923 | 0.82 | — | — | |
| SCHEMBL9793492 | 0.82 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1016867-B | PROCESS FOR MAKING 1, 3-DIOXANE DERIVATIVES | IMPERIL CHEMICAL INDNSTRIES LT (GB) | 1992-06-03 | — | — | CN | disclosed |
| EP-0304138-B1 | PROCESS FOR MAKING 1,3-DIOXANE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-03-04 | — | — | EP | disclosed |
| EP-0304139-B1 | PROCESS FOR MAKING 5-HYDROXY-3-HYDROXYMETHYL-2-PHENYLFURAN DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-09-11 | — | — | EP | disclosed |
| EP-0142323-B1 | PROCESS FOR MAKING ERYTHRO-DIHYDROXYALKENOIC ACIDE DERIVATIVES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-03-07 | — | — | EP | disclosed |
| US-4900846-A | REACTING OXYALDEHYDES WITH ACTIVE PHOSPHOROUS COMPOUND, CYCLIZATION WITH KETONES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-02-13 | — | — | US | disclosed |
| EP-0304139-A1 | Process for making 5-hydroxy-3-hydroxymethyl-2-phenylfuran derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-02-22 | — | — | EP | disclosed |
| EP-0304138-A1 | Process for making 1,3-dioxane derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-02-22 | — | — | EP | disclosed |
| US-4723037-A | THROMBOXANE ANTAGONISTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-02-02 | — | — | US | disclosed |
| CN-85101580-A | 1, the preparation method of 3-3-dioxane derivatives | — | 1987-01-31 | — | — | CN | disclosed |
| EP-0142323-A2 | Process for making erythro-dihydroxyalkenoic acide derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-05-22 | — | — | EP | disclosed |