⚠ 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 SCHEMBL10332240 | 0.97 | — | — | |
| SCHEMBL170190 | 0.75 | — | — | |
| SCHEMBL804499 | 0.75 | — | — | |
| SCHEMBL22772597 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL10332216 | 0.73 | — | — | |
| SCHEMBL8386899 | 0.72 | — | — | |
| Butane SCHEMBL7718849 | 0.72 | FDPS (0.39) | — | |
| SCHEMBL9814651 | 0.71 | — | — | |
| SCHEMBL29436903 | 0.71 | — | — | |
| SCHEMBL19475096 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0281979-B1 | CYANOMETHYL-SUBSTITUTED ACID HALIDES OF PHOSPHORE, PROCESS FOR THEIR PREPARATION AND THE INTERMEDIATES CYANOMETHYL-METHYLPHOSPHINIC-ACID ALKYL ESTERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-08-28 | — | — | EP | claimed |
| US-20110294664-A1 | USE OF DERIVATIVES OF (1-CYANOCYCLOPROPYL)PHENYLPHOSPHINIC ACID, ESTERS THEREOF AND/OR SALTS THEREOF FOR ENHANCING TOLERANCE IN PLANTS TO ABIOTIC STRESS | BAYER CROPSCIENCE AG (DE) | 2011-12-01 | — | — | US | disclosed |
| EP-1509537-B9 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES INC (US) | 2007-11-14 | — | — | EP | disclosed |
| EP-1509537-B1 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES INC (US) | 2007-07-18 | — | — | EP | disclosed |
| US-4904813-A | Cyanomethyl acid halides of phosphorus and process for their preparation | HOECHST AKTEINGESELLSCHAFT (DE) | 1990-02-27 | — | — | US | disclosed |
| US-4904813-A | Cyanomethyl acid halides of phosphorus and process for their preparation | HOECHST AKTEINGESELLSCHAFT (DE) | 1990-02-27 | — | — | US | disclosed |
| EP-0281979-A2 | Cyanomethyl-substituted acid halides of phosphore, process for their preparation and the intermediates cyanomethyl-methylphosphinic-acid alkyl esters | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-09-14 | — | — | EP | disclosed |