⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL195747 | 0.78 | — | — | |
| SCHEMBL730626 | 0.73 | TRPA1 (0.30) | — | |
| SCHEMBL1784149 | 0.71 | — | — | |
| SCHEMBL21530625 | 0.71 | TP53 (0.36) | — | |
| SCHEMBL11411385 | 0.71 | TP53 (0.36) | — | |
| SCHEMBL22326481 | 0.71 | — | — | |
| SCHEMBL270229 | 0.69 | — | — | |
| Isobutyraldehyde SCHEMBL6472427 | 0.68 | — | — | |
| SCHEMBL9578294 | 0.68 | CYP2C19 (0.30) | — | |
| SCHEMBL1786619 | 0.68 | TSHR (0.35) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3401301-B1 | HYDROXYPIVALALDEHYDE PRODUCTION METHOD | MITSUBISHI GAS CHEMICAL CO (JP) | 2021-03-31 | — | — | EP | claimed |
| EP-2550250-B1 | AMINE SYNERGISTS AND THEIR USE IN RADIATION CURING | SUN CHEMICAL BV (NL) | 2020-06-24 | — | — | EP | claimed |
| EP-1568678-B1 | Stabilized hydroxypivalaldehyde | MITSUBISHI GAS CHEMICAL CO (JP) | 2017-10-11 | — | — | EP | claimed |
| EP-1772451-B1 | Process of producing dioxane glycol | MITSUBISHI GAS CHEMICAL CO (JP) | 2010-06-02 | — | — | EP | claimed |
| EP-1598357-B1 | Process for the production of the spiroglycol 3,9-bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane | MITSUBISHI GAS CHEMICAL CO (JP) | 2008-10-15 | — | — | EP | claimed |
| EP-0528256-B1 | D-2,4-dihydroxy-3,3-dimethylbutyronitrile, its production and use and process for production of D-pantolactone, D-2,4-dihydroxy-3,3-dimethylbutyramide and D-pantothenic acid | DEGUSSA (DE) | 1996-09-25 | — | — | EP | claimed |
| EP-3310768-A1 | PREPARATION OF PANTOLACTONE | BASF SE (DE) | 2018-04-25 | — | — | EP | disclosed |
| WO-2017119458-A1 | HYDROXYPIVALALDEHYDE PRODUCTION METHOD | 三菱瓦斯化学株式会社 | 2017-07-13 | — | — | WO | disclosed |
| WO-2016202965-A1 | PREPARATION OF PANTOLACTONE | BASF SE (DE) | 2016-12-22 | — | — | WO | disclosed |
| EP-1752439-B9 | Method of producing high-purity hydroxypivalaldehyde and/or dimer thereof | MITSUBISHI GAS CHEMICAL CO (JP) | 2012-06-27 | — | — | EP | disclosed |
| EP-1752439-B1 | Method of producing high-purity hydroxypivalaldehyde and/or dimer thereof | MITSUBISHI GAS CHEMICAL CO (JP) | 2012-02-01 | — | — | EP | disclosed |
| EP-1752439-A1 | Method of producing high-purity hydroxypivalaldehyde and/or dimer thereof | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2007-02-14 | — | — | EP | disclosed |