⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4215116 | 0.78 | — | — | |
| SCHEMBL9779302 | 0.78 | — | — | |
| SCHEMBL8408706 | 0.78 | — | — | |
| SCHEMBL311015 | 0.78 | — | — | |
| SCHEMBL3126300 | 0.78 | — | — | |
| SCHEMBL6141634 | 0.76 | — | — | |
| SCHEMBL1208278 | 0.75 | — | — | |
| SCHEMBL2353911 | 0.75 | — | — | |
| SCHEMBL1592496 | 0.73 | — | — | |
| SCHEMBL6624705 | 0.73 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1332199-C | GC/MS inner scaling detection method for simultaneous investigating residual multiple organophosphorus in food | ZHENGZHOU PATHEME PREVENT AND (CN) | 2007-08-15 | — | — | CN | claimed |
| CN-1693890-A | GC/MS inner scaling detection method for simultaneous investigating residual multiple organophosphorus in food | ZHENGZHOU PATHEME PREVENT AND (CN) | 2005-11-09 | — | — | CN | claimed |
| EP-0385441-A1 | Marker for petroliferous products | ACNA CHIMICA ORGANICA S.P.A. (IT) | 1990-09-05 | — | — | EP | claimed |
| EP-3148962-A1 | PROCESS TO PREPARE 3-METHYL-2-NITROBENZOIC ACID BY AIR OXIDATION | E. I. du Pont de Nemours and Company (US) | 2017-04-05 | — | — | EP | disclosed |
| CN-106458843-A | Method for preparing 3-methyl-2-nitrobenzoic acid by air oxidation | 纳幕尔杜邦公司 | 2017-02-22 | — | — | CN | disclosed |
| WO-2015184229-A1 | PROCESS TO PREPARE 3-METHYL-2-NITROBENZOIC ACID BY AIR OXIDATION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2015-12-03 | — | — | WO | disclosed |
| EP-2057168-A2 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | Array Biopharma, Inc. (US) | 2009-05-13 | — | — | EP | disclosed |
| WO-2008028141-A2 | RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF | ARRAY BIOPHARMA INC. (US) | 2008-03-06 | — | — | WO | disclosed |
| CN-1332199-C | GC/MS inner scaling detection method for simultaneous investigating residual multiple organophosphorus in food | ZHENGZHOU PATHEME PREVENT AND (CN) | 2007-08-15 | — | — | CN | disclosed |
| CN-1332199-C | GC/MS inner scaling detection method for simultaneous investigating residual multiple organophosphorus in food | ZHENGZHOU PATHEME PREVENT AND (CN) | 2007-08-15 | — | — | CN | disclosed |
| CN-1693890-A | GC/MS inner scaling detection method for simultaneous investigating residual multiple organophosphorus in food | ZHENGZHOU PATHEME PREVENT AND (CN) | 2005-11-09 | — | — | CN | disclosed |
| US-5728901-A | PERFLUOROALKYL SULFONATES, FLUOROSULFONATES, HEXAFLUOROPHOSPHATES, NITRATES | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1998-03-17 | — | — | US | disclosed |
| EP-0276030-B1 | PROCESS FOR THE PREPARATION OF O-ISOPROPOXYPHENOL | ENICHEM SYNTHESIS S.p.A. (IT) | 1990-10-17 | — | — | EP | disclosed |
| EP-0385441-A1 | Marker for petroliferous products | ACNA CHIMICA ORGANICA S.P.A. (IT) | 1990-09-05 | — | — | EP | disclosed |
| EP-0276030-A1 | Process for the preparation of o-isopropoxyphenol | ENICHEM SYNTHESIS S.p.A. (IT) | 1988-07-27 | — | — | EP | disclosed |
| US-4454337-A | Semicarbazide intermediates for preparing 4-substituted indoles | SMITHKLINE BECKMAN CORPORATION (US) | 1984-06-12 | — | — | US | disclosed |
| US-4394514-A | Processes for preparing 4-substituted indoles | SMITHKLINE BECKMAN CORPORATION (US) | 1983-07-19 | — | — | US | disclosed |