⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9005829 | 0.79 | — | — | |
| SCHEMBL5943652 | 0.79 | NPC1 (0.31) | — | |
| SCHEMBL44322 | 0.72 | — | — | |
| SCHEMBL17509960 | 0.72 | EPHX1 (0.46) | — | |
| SCHEMBL8571779 | 0.70 | EPHX1 (0.31) | — | |
| SCHEMBL4383381 | 0.69 | EPHX1 (0.33) | — | |
| SCHEMBL17219539 | 0.69 | EPHX1 (0.30) | — | |
| SCHEMBL15856915 | 0.68 | EPHX1 (0.32) | — | |
| SCHEMBL13588308 | 0.68 | — | — | |
| SCHEMBL24171738 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020212805-A1 | HYDROXYPIVALDEHYDE SYNTHESIS WITH A STATIC MIXER CONTINUOUS FLOW REACTOR | SABIC GLOBAL TECHNOLOGIES, B.V. (NL) | 2020-10-22 | — | — | WO | disclosed |
| US-9061985-B2 | Method for concentrating aqueous 3-hydroxy-2,2-dimethylpropanal solution | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2015-06-23 | — | — | US | disclosed |
| US-8846366-B2 | R-hydroxynitrile lyase (R-HNL) random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP ASSETS BV (NL) | 2014-09-30 | — | — | US | disclosed |
| US-8846366-B2 | R-hydroxynitrile lyase (R-HNL) random variants and their use for preparing optically pure, sterically hindered cyanohydrins | DSM IP ASSETS BV (NL) | 2014-09-30 | — | — | US | disclosed |
| EP-2684860-A1 | METHOD FOR CONCENTRATING AQUEOUS 3-HYDROXY-2,2-DIMETHYLPROPANAL SOLUTION | Mitsubishi Gas Chemical Company, Inc. (JP) | 2014-01-15 | — | — | EP | disclosed |
| EP-1752439-B9 | Method of producing high-purity hydroxypivalaldehyde and/or dimer thereof | MITSUBISHI GAS CHEMICAL CO (JP) | 2012-06-27 | — | — | EP | disclosed |
| US-20100143986-A1 | R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS | DSM IP ASSETS BV (NL) | 2010-06-10 | — | — | US | disclosed |
| US-20100143986-A1 | R-HNL RANDOM VARIANTS AND THEIR USE FOR PREPARING OPTICALLY PURE, STERICALLY HINDERED CYANOHYDRINS | DSM IP ASSETS BV (NL) | 2010-06-10 | — | — | US | disclosed |
| US-7368612-B2 | Method of producing high-purity hydroxypivalaldehyde and/or dimer thereof | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2008-05-06 | — | — | US | disclosed |
| US-20070032682-A1 | Method of producing high-purity hydroxypivalaldehyde and/or dimer thereof | MITSUBISHI GAS CHEMICAL CO., INC. (JP) | 2007-02-08 | — | — | US | disclosed |
| US-20030129713-A1 | Process for preparing enantiomer-enriched cyanohydrins using acetals or ketals as substrates | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2003-07-10 | — | — | US | disclosed |
| EP-1323828-A2 | Method for the preparation of enantiomerically enriched cyanohydrines using acetals or ketals as substratess | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2003-07-02 | — | — | EP | disclosed |