⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6784417 | 0.73 | — | — | |
| SCHEMBL3684282 | 0.73 | — | — | |
| SCHEMBL6368228 | 0.65 | KDM4E (0.30) | — | |
| SCHEMBL4620782 | 0.61 | XDH (0.33) | — | |
| SCHEMBL6754803 | 0.60 | POLB (0.30) | — | |
| SCHEMBL18112669 | 0.59 | — | — | |
| SCHEMBL28813435 | 0.58 | — | — | |
| SCHEMBL13050765 | 0.55 | TRPA1 (0.31) | — | |
| SCHEMBL12351064 | 0.54 | — | — | |
| Formic Acid SCHEMBL29257637 | 0.53 | PTPN1 (0.39) | — |
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-1087924-B1 | METHOD FOR PREPARING P-HYDROXYMANDELIC COMPOUNDS OPTIONALLY SUBSTITUTED | RHODIA CHIMIE SA (FR) | 2004-02-25 | — | — | EP | claimed |
| US-20170183283-A1 | METHOD FOR PREPARING P-HYDROXYMANDELIC COMPOUNDS IN STIRRED REACTORS | RHODIA OPERATIONS (FR) | 2017-06-29 | — | — | US | disclosed |
| US-9403745-B2 | Method for separating salified phenolic compounds | RHODIA OPERATIONS (FR) | 2016-08-02 | — | — | US | disclosed |
| US-20150274625-A1 | METHOD FOR SEPARATING SALIFIED PHENOLIC COMPOUNDS | SPECIALTY OPERATIONS FRANCE (FR) | 2015-10-01 | — | — | US | disclosed |
| US-9079842-B2 | Method for separating salified phenolic compounds | RHODIA OPERATIONS (FR) | 2015-07-14 | — | — | US | disclosed |
| US-9006496-B2 | Method of separating phenolic compounds in salified form | RHODIA OPERATIONS (FR) | 2015-04-14 | — | — | US | disclosed |
| US-8759573-B2 | Method for preparing optionally substituted p-hydroxymandelic compounds and derivatives thereof | RHODIA OPERATIONS (FR) | 2014-06-24 | — | — | US | disclosed |
| US-20120264982-A1 | METHOD FOR SEPARATING SALIFIED PHENOLIC COMPOUNDS | RHODIA OPERATIONS (FR) | 2012-10-18 | — | — | US | disclosed |
| US-20110230674-A1 | METHOD OF SEPARATING PHENOLIC COMPOUNDS IN SALIFIED FORM | RHODIA OPERATIONS (FR) | 2011-09-22 | — | — | US | disclosed |
| US-20110009664-A1 | METHOD FOR PREPARING OPTIONALLY SUBSTITUTED P-HYDROXYMANDELIC COMPOUNDS AND DERIVATIVES THEREOF | Rhodia Pperations (FR) | 2011-01-13 | — | — | US | disclosed |
| 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 |
| US-5430183-A | Para-hydroxyalkylation of hydroxylated aromatic compounds | RHONE-POULENC CHIMIE (FR) | 1995-07-04 | — | — | US | disclosed |