⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL642466 | 1.00 | — | — | |
| SCHEMBL11855237 | 0.75 | — | — | |
| SCHEMBL9779530 | 0.75 | — | — | |
| SCHEMBL25806288 | 0.69 | — | — | |
| SCHEMBL21189919 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL11050742 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL23236481 | 0.67 | — | — | |
| SCHEMBL1498845 | 0.67 | — | — | |
| SCHEMBL11940509 | 0.67 | — | — | |
| SCHEMBL22579620 | 0.67 | — | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101195675-B | Allophanate modified isocyanates which contain reactive unsaturation | BAYER MATERIALSCIENCE LLC | 2013-03-27 | — | — | CN | claimed |
| EP-1930356-B1 | Allophanate-modified stabilizers and the polymer polyols prepared from these stabilizers | BAYER MATERIALSCIENCE LLC (US) | 2012-10-10 | — | — | EP | claimed |
| EP-1930357-B1 | Allophanate modified isocyanates which contain reactive unsaturation | BAYER MATERIALSCIENCE LLC (US) | 2012-06-13 | — | — | EP | claimed |
| WO-2006066806-A1 | MANUFACTURE OF VITAMIN B6 | DSM IP ASSETS B.V. (NL) | 2006-06-29 | — | — | WO | claimed |
| EP-2964684-A1 | HIGH FUNCTIONALITY ISOCYANATES AS POLYMER POLYOL STABILIZERS AND THE POLYMER POLYOLS PREPARED FROM THESE STABILIZERS | Covestro LLC (US) | 2016-01-13 | — | — | EP | disclosed |
| WO-2014137656-A1 | HIGH FUNCTIONALITY ISOCYANATES AS POLYMER POLYOL STABILIZERS AND THE POLYMER POLYOLS PREPARED FROM THESE STABILIZERS | BAYER MATERIALSCIENCE LLC (US) | 2014-09-12 | — | — | WO | disclosed |
| US-20140249274-A1 | HIGH FUNCTIONALITY ISOCYANATES AS POLYMER POLYOL STABILIZERS AND THE POLYMER POLYOLS PREPARED FROM THESE STABILIZERS | BAYER MATERIALSCIENCE LLC (US) | 2014-09-04 | — | — | US | disclosed |
| US-8802811-B2 | Process for the synthesis of 3-hydroxyglutaronitrile | E I DU PONT DE NEMOURS AND COMPANY (US) | 2014-08-12 | — | — | US | disclosed |
| CN-101195675-B | Allophanate modified isocyanates which contain reactive unsaturation | BAYER MATERIALSCIENCE LLC | 2013-03-27 | — | — | CN | disclosed |
| US-20120309931-A1 | PROCESS FOR THE SYNTHESIS OF 3-HYDROXYGLUTARONITRILE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-12-06 | — | — | US | disclosed |
| EP-1930356-B1 | Allophanate-modified stabilizers and the polymer polyols prepared from these stabilizers | BAYER MATERIALSCIENCE LLC (US) | 2012-10-10 | — | — | EP | disclosed |
| CN-101225153-B | Allophanate-modified stabilizers and the polymer polyols prepared from these stabilizers | BAYER MATERIALSCIENCE LLC | 2012-09-19 | — | — | CN | disclosed |
| US-20080132724-A1 | Allophanate modified isocyanates which contain reactive unsaturation | BAYER MATERIALSCIENCE LLC | 2008-06-05 | — | — | US | disclosed |
| US-20080132662-A1 | Allophanate-modified stabilizers and the polymer polyols prepared from these stabilizers | BAYER MATERIALSCIENCE LLC | 2008-06-05 | — | — | US | disclosed |
| CN-101084192-A | Manufacture of vitamin B6 | DSM IP ASSETS BV (NL) | 2007-12-05 | — | — | CN | disclosed |
| US-20060264652-A1 | Process for preparing 4-chloro-3-hydroxybutanoic acid ester | LG LIFE SCIENCES LTD. (KR) | 2006-11-23 | — | — | US | disclosed |
| WO-2006066806-A1 | MANUFACTURE OF VITAMIN B6 | DSM IP ASSETS B.V. (NL) | 2006-06-29 | — | — | WO | disclosed |
| CN-1764636-A | Method for preparing 4-chloro-3-hydroxybutyrate | LG LIFE SCIENCES LTD (KR) | 2006-04-26 | — | — | CN | disclosed |
| EP-1615877-A1 | PROCESS FOR PREPARING 4-CHLORO-3-HYDROXYBUTANOIC ACID ESTER | LG Life Sciences Ltd (KR) | 2006-01-18 | — | — | EP | disclosed |
| WO-2004092114-A1 | PROCESS FOR PREPARING 4-CHLORO-3-HYDROXYBUTANOIC ACID ESTER | LG LIFE SCIENCES LTD. (KR) | 2004-10-28 | — | — | WO | disclosed |