⚠ 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 | |
|---|---|---|---|---|
| Butanedione SCHEMBL1867426 | 0.94 | TSHR (1.00) | — | |
| Butanedione SCHEMBL20472 | 0.94 | — | — | |
| Butanedione SCHEMBL3741209 | 0.88 | — | — | |
| Butanedione SCHEMBL3398297 | 0.88 | — | — | |
| Butanedione SCHEMBL7892720 | 0.88 | — | — | |
| Butanedione SCHEMBL2916949 | 0.88 | — | — | |
| Butanedione SCHEMBL6135875 | 0.88 | — | — | |
| Butanedione SCHEMBL1673412 | 0.88 | — | — | |
| Butanedione SCHEMBL3831305 | 0.88 | — | — | |
| Butanedione SCHEMBL15352914 | 0.88 | — | — |
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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117653620-A | Application of 2, 3-butanedione monoxime potassium in preparation of products for inhibiting bacterial and viral activities | 中国人民解放军海军军医大学 | 2024-03-08 | — | — | CN | claimed |
| US-20200163952-A1 | COMPOSITIONS AND METHODS FOR TREATING NERVE AGENT EXPOSURE | HOFFMAN STEVEN (US) | 2020-05-28 | — | — | US | claimed |
| EP-3246071-A1 | METHOD AND FORMULATION FOR NEUTRALIZING TOXIC CHEMICALS AND MATERIALS | Emergent Protective Products Canada ULC (CA) | 2017-11-22 | — | — | EP | claimed |
| US-9604085-B2 | Method and formulation for neutralizing toxic chemicals and materials | EMERGENT PROTECTIVE PRODUCTS CANADA ULC (CA) | 2017-03-28 | — | — | US | claimed |
| US-20170072239-A1 | Method and Formulation for Neutralizing Toxic Chemicals and Materials | E-Z-EM, INC. | 2017-03-16 | — | — | US | claimed |
| US-8961943-B2 | O/W-emulsifiers, O/W-emulsions and methods of manufacture thereof | SYMRISE AG (DE) | 2015-02-24 | — | — | US | claimed |
| US-20130177510-A1 | O/W-EMULSIFIERS, O/W-EMULSIONS AND METHODS OF MANUFACTURE THEREOF | SYMRISE AG (DE) | 2013-07-11 | — | — | US | claimed |
| US-8454941-B2 | O/W-emulsifiers, O/W-emulsions and methods of manufacture thereof | SYMRISE AG (DE) | 2013-06-04 | — | — | US | claimed |
| US-20010046995-A1 | Barrier cream comprising hexamethylenetetramine or derivative thereof | THE SECRETARY OF STATE FOR DEFENCE, GREAT BRITAIN AND NORTHERN IRELAND | 2001-11-29 | — | — | US | claimed |
| CN-1225006-A | A barrier cream comprising hexamethylenetetramine or derivative thereof | SERETARY OF STATE FOR DEFENCE (GB) | 1999-08-04 | — | — | CN | claimed |
| EP-0907350-A2 | A BARRIER CREAM COMPRISING HEXAMETHYLENETETRAMINE OR DERIVATIVE THEREOF | The Secretary of State for Defence in Her Britannic Majesty's Government of The United Kingdom of Great Britain and Northern I (GB) | 1999-04-14 | — | — | EP | claimed |
| WO-1997044007-A2 | A BARRIER CREAM COMPRISING HEXAMETHYLENETETRAMINE OR DERIVATIVE THEREOF | THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 1997-11-27 | — | — | WO | claimed |
| US-5071877-A | Alkali metal salts; partial etherification; creams; lotions; b barriers against chemical warfare agents | BANNARD ROBERT A B (CA) | 1991-12-10 | — | — | US | claimed |
| US-11969399-B2 | Compositions and methods for remediating chemical warfare agent exposed skin | Armis Biopharma, Inc. (US) | 2024-04-30 | — | — | US | disclosed |
| CN-117653620-A | Application of 2, 3-butanedione monoxime potassium in preparation of products for inhibiting bacterial and viral activities | 中国人民解放军海军军医大学 | 2024-03-08 | — | — | CN | disclosed |
| US-20230404962-A1 | ANTIMICROBIAL, DISINFECTING AND WOUND HEALING COMPOSITIONS AND METHODS FOR PRODUCING AND USING SAME | ARMIS BIOPHARMA INC (US) | 2023-12-21 | — | — | US | disclosed |
| EP-0555208-A1 | METAL OXIMATE POLYETHYLENE GLYCOLS CHEMICAL DECONTAMINANT SYSTEM. | CANADA MINISTER DEFENCE (CA) | 1993-08-18 | — | — | EP | disclosed |
| WO-1992007627-A1 | METAL OXIMATE POLYETHYLENE GLYCOLS CHEMICAL DECONTAMINANT SYSTEM | HER MAJESTY THE QUEEN AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE OF HER MAJESTY'S CANADIAN GOVERNMENT (CA) | 1992-05-14 | — | — | WO | disclosed |
| US-5075297-A | Protection against chemical warfare; mixture of potassium salt of phenol or oxime, crown or crypt compound, and solvent | HER MAJESTY THE QUEEN IN RIGHT OF CANADA, AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE OF HER MAJESTY'S CANADIAN GOVERNMENT (CA) | 1991-12-24 | — | — | US | disclosed |
| US-5071877-A | Alkali metal salts; partial etherification; creams; lotions; b barriers against chemical warfare agents | BANNARD ROBERT A B (CA) | 1991-12-10 | — | — | US | disclosed |