⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL1861894 | 0.87 | CA2 (0.39) | — | |
| Methyl Phosphonate SCHEMBL27458156 | 0.80 | — | — | |
| SCHEMBL28432548 | 0.80 | — | — | |
| SCHEMBL176547 | 0.75 | — | — | |
| SCHEMBL6177020 | 0.75 | — | — | |
| Methyl Phosphonate SCHEMBL27535922 | 0.74 | — | — | |
| Phosphoric Acid SCHEMBL675651 | 0.72 | — | — | |
| SCHEMBL7571332 | 0.72 | — | — | |
| Phosphoric Acid SCHEMBL854955 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL21065654 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948326-B1 | METHOD FOR PREPARING CYANOPHOSPHONATE DERIVATIVES FROM PHOSPHORIC ANHYDRIDE AND CYANIDE | MONSANTO TECHNOLOGY LLC (US) | 2002-09-18 | — | — | EP | claimed |
| CN-104167564-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2014-11-26 | — | — | CN | disclosed |
| CN-102754268-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2014-11-19 | — | — | CN | disclosed |
| CN-104025366-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2014-09-03 | — | — | CN | disclosed |
| CN-103762381-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | MITSUBISHI CHEM CORP | 2014-04-30 | — | — | CN | disclosed |
| CN-103380530-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | MITSUBISHI CHEM CORP | 2013-10-30 | — | — | CN | disclosed |
| CN-103109410-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP | 2013-05-15 | — | — | CN | disclosed |
| EP-0948503-A1 | PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | disclosed |
| US-5861525-A | Method for preparing cyanophosphonate derivatives from phosphate esters and cyanide | MONSANTO COMPANY (US) | 1999-01-19 | — | — | US | disclosed |
| WO-1998029424-A1 | PREPARATION OF CYANOPHOSPHONATES FROM PHOSPHATES AND CYANIDE | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | disclosed |