⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6641911 | 0.97 | TSHR (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL27686666 | 0.97 | TSHR (0.46) | — | |
| SCHEMBL11233862 | 0.83 | ALDH1A1 (0.52) | — | |
| SCHEMBL28668441 | 0.81 | ALDH1A1 (0.52) | — | |
| SCHEMBL6569213 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL81402 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL2154212 | 0.78 | TSHR (0.43) | — | |
| SCHEMBL7707637 | 0.78 | — | — | |
| SCHEMBL8984311 | 0.76 | TSHR (0.42) | — | |
| SCHEMBL29113016 | 0.76 | TSHR (0.42) | — |
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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7078553-B2 | Dehydrohalogenation by reacting a di-hydroperoxy compound with an acid halogen or halogen formate to form mono- or di-peroxy ester or carbonate; polymerization initiators, curing agents for unsaturated polyesters and modifying agents | AKZO NOBEL N.V. (NL) | 2006-07-18 | — | — | US | claimed |
| US-20040260111-A1 | Dehydrohalogenation by reacting a di-hydroperoxy compound with an acid halogen or halogen formate to form mono- or di-peroxy ester or carbonate; polymerization initiators, curing agents for unsaturated polyesters and modifying agents | VAN DE BOVENKAMP-BOUWMAN ANNA (NL) | 2004-12-23 | — | — | US | claimed |
| EP-1071662-B1 | PEROXIDES, THEIR PREPARATION PROCESS AND USE | AKZO NOBEL NV (NL) | 2004-08-04 | — | — | EP | claimed |
| US-20030073861-A1 | Using a peroxy compound as curing agent, polymerization catalyst | VAN DE BOVENKAMP-BOUWMAN ANNA (NL) | 2003-04-17 | — | — | US | claimed |
| EP-1049668-B1 | KETONE PEROXIDE DERIVATIVES, THEIR PREPARATION AND USE | AKZO NOBEL NV (NL) | 2003-03-19 | — | — | EP | claimed |
| US-6482970-B1 | Peroxides, their preparation process and use | AKZO NOBEL NV (NL) | 2002-11-19 | — | — | US | claimed |
| EP-1071662-A1 | PEROXIDES, THEIR PREPARATION PROCESS AND USE | Akzo Nobel N.V. (NL) | 2001-01-31 | — | — | EP | claimed |
| EP-1049668-A1 | KETONE PEROXIDE DERIVATIVES, THEIR PREPARATION AND USE | Akzo Nobel N.V. (NL) | 2000-11-08 | — | — | EP | claimed |
| WO-1999052864-A1 | PEROXIDES, THEIR PREPARATION PROCESS AND USE | AKZO NOBEL N.V. (NL) | 1999-10-21 | — | — | WO | claimed |
| WO-1999032442-A1 | KETONE PEROXIDE DERIVATIVES, THEIR PREPARATION AND USE | AKZO NOBEL N.V. (NL) | 1999-07-01 | — | — | WO | claimed |
| US-4332740-A | REACTION OF POTASSIUM SALT OF HYDROPEROXIDE WITH ACYL HALIDE IN NONPOLAR SOLVENT | NIPPON OIL AND FATS CO., LTD. (JP) | 1982-06-01 | — | — | US | claimed |
| US-20180066008-A1 | MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-03-08 | — | — | US | disclosed |
| EP-2757102-B1 | Intermediate for producing a cyclic sulfonic acid ester | WAKO PURE CHEM IND LTD (JP) | 2016-03-23 | — | — | EP | disclosed |
| US-8969591-B2 | Method for producing cyclic sulfonic acid ester and intermediate thereof | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2015-03-03 | — | — | US | disclosed |
| EP-2463281-B1 | METHOD FOR PRODUCING CYCLIC SULFONIC ACID ESTER AND INTERMEDIATE THEREOF | WAKO PURE CHEM IND LTD (JP) | 2014-10-22 | — | — | EP | disclosed |
| US-RE30241-E | BRONCHODILATION, ADRENERGIC STIMULANTS | STERLING DRUG INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4138581-A | BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS | STERLING DRUGS INC. (US) | 1979-02-06 | — | — | US | disclosed |
| US-4129704-A | Polymerization of vinyl monomers employing a diperoxyester mixture composition prepared by reacting dihydroperoxide and peroxyester forming carbonyl compounds | PENNWALT CORPORATION (US) | 1978-12-12 | — | — | US | disclosed |
| US-4097408-A | FROM DIHYDOPEROXIDE AND CARBONYL COMPOUND, POLYMERIZATION CATALYSTS | PENNWALT CORPORATION (US) | 1978-06-27 | — | — | US | disclosed |
| US-4004029-A | BENZAMIDES | THE UPJOHN COMPANY (US) | 1977-01-18 | — | — | US | disclosed |