⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL263101 | 0.87 | — | — | |
| SCHEMBL18244962 | 0.85 | — | — | |
| SCHEMBL5067840 | 0.82 | TSHR (0.44) | — | |
| SCHEMBL28287650 | 0.82 | TSHR (0.44) | — | |
| SCHEMBL16926996 | 0.82 | TSHR (0.44) | — | |
| SCHEMBL18007373 | 0.75 | — | — | |
| SCHEMBL5819405 | 0.74 | OPRM1 (0.48) | — | |
| SCHEMBL5473438 | 0.73 | METAP1 (0.41) | — | |
| SCHEMBL1436882 | 0.72 | — | — | |
| SCHEMBL7145733 | 0.69 | — | — |
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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1190406-C | Preparation method of ortho-alkylated benzoic acid derivative | MERCK PATENT GMBH (DE) | 2005-02-23 | — | — | CN | claimed |
| EP-1098866-B1 | METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-02-11 | — | — | EP | claimed |
| US-20030069444-A1 | METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES | MERCK KGAA (DE) | 2003-04-10 | — | — | US | claimed |
| JP-2002521352-A | — | — | 2002-07-16 | — | — | JP | claimed |
| US-20020091286-A1 | Method for producing ortho-alkylated benzoic acid derivatives | MERCK GMBH (DE) | 2002-07-11 | — | — | US | claimed |
| US-6350904-B1 | CATALYTIC CARBOXYLATION OF HALOALKYLBENZENE | MERCK KGAA (DE) | 2002-02-26 | — | — | US | claimed |
| CN-1310700-A | Preparation method of ortho-alkylated benzoic acid derivative | MERCK PATENT GMBH (DE) | 2001-08-29 | — | — | CN | claimed |
| EP-1098866-A1 | METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-05-16 | — | — | EP | claimed |
| WO-2000005187-A1 | METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-02-03 | — | — | WO | claimed |
| WO-2016098016-A1 | PROCESS FOR THE PREPARATION OF SGLT2 INHIBITORS | DR. REDDY’S LABORATORIES LIMITED (IN) | 2016-06-23 | — | — | WO | disclosed |
| EP-1345908-B1 | PROCESS FOR THE PREPARATION OF ALPHA-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES | MERCK PATENT GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| EP-2256104-A1 | Process for the preparation of alpha-aminosubstituted carboxylic acid amides | Merck Patent GmbH (DE) | 2010-12-01 | — | — | EP | disclosed |
| US-7166720-B2 | Process for the preparation of α-aminosubstituted carboxylic acid amides | MERCK PATENT GESELLSCHAFT (DE) | 2007-01-23 | — | — | US | disclosed |
| US-7053211-B2 | Process for the preparation of α-aminosubstituted carboxylic acid amides | MERCK PATENT GMBH (DE) | 2006-05-30 | — | — | US | disclosed |
| US-20020091286-A1 | Method for producing ortho-alkylated benzoic acid derivatives | MERCK GMBH (DE) | 2002-07-11 | — | — | US | disclosed |
| WO-2002051813-A2 | PROCESS FOR THE PREPARATION OF α-AMINOSUBSTITUTED CARBOXYLIC ACID AMIDES | MERCK PATENT GMBH (DE) | 2002-07-04 | — | — | WO | disclosed |
| US-6350904-B1 | CATALYTIC CARBOXYLATION OF HALOALKYLBENZENE | MERCK KGAA (DE) | 2002-02-26 | — | — | US | disclosed |
| CN-1310700-A | Preparation method of ortho-alkylated benzoic acid derivative | MERCK PATENT GMBH (DE) | 2001-08-29 | — | — | CN | disclosed |
| EP-1098866-A1 | METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000005187-A1 | METHOD FOR PRODUCING ORTHO-ALKYLATED BENZOIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-02-03 | — | — | WO | disclosed |