⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6902781 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL838674 | 0.78 | — | — | |
| SCHEMBL6835983 | 0.73 | — | — | |
| SCHEMBL36630 | 0.73 | — | — | |
| SCHEMBL4607862 | 0.70 | — | — | |
| Ethylene SCHEMBL27406283 | 0.70 | CTSK (0.33) | — | |
| SCHEMBL6284787 | 0.69 | — | — | |
| Vinyl Ether SCHEMBL3480788 | 0.68 | — | — | |
| Ethylene Glycol SCHEMBL13387813 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL8729801 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6753441-B1 | CONDENSING, IN WATER AND BASE, HYDROXYLATED AROMATIC COMPOUND WITH GLYOXYLIC ACID USING POLYCARBOXYLIC ACID CATALYST | RHODIA CHIMIE (FR) | 2004-06-22 | — | — | US | disclosed |
| EP-1087924-B1 | METHOD FOR PREPARING P-HYDROXYMANDELIC COMPOUNDS OPTIONALLY SUBSTITUTED | RHODIA CHIMIE SA (FR) | 2004-02-25 | — | — | EP | disclosed |
| EP-1087924-A1 | METHOD FOR PREPARING P-HYDROXYMANDELIC COMPOUNDS OPTIONALLY SUBSTITUTED | RHODIA CHIMIE (FR) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999065853-A1 | METHOD FOR PREPARING P-HYDROXYMANDELIC COMPOUNDS OPTIONALLY SUBSTITUTED | RHODIA CHIMIE (FR) | 1999-12-23 | — | — | WO | disclosed |
| US-5776934-A | Use of 1,3,5-triazine-2,4,6-tris-alkylaminocarboxylic acid derivatives as biocidal agents in aqueous systems and cooling lubricants comprising these | CG-CHEMIE GMBH (DE) | 1998-07-07 | — | — | US | disclosed |
| EP-0578550-B1 | Process for the para-hydroxyalkylation of hydroxylated aromatic compounds | RHONE POULENC CHIMIE (FR) | 1996-12-27 | — | — | EP | disclosed |
| US-5534624-A | 1,3,5-triazine-2,4,6-tris-alkylaminocarboxylic acid amino esters, biocidal agents containing such esters, and methods of preparing them | CG-CHEMIE GMBH (DE) | 1996-07-09 | — | — | US | disclosed |
| US-5430183-A | Para-hydroxyalkylation of hydroxylated aromatic compounds | RHONE-POULENC CHIMIE (FR) | 1995-07-04 | — | — | US | disclosed |
| EP-0578550-A1 | Process for the para-hydroxyalkylation of hydroxylated aromatic compounds | RHONE-POULENC CHIMIE (FR) | 1994-01-12 | — | — | EP | disclosed |