⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22148540 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL11719404 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL317552 | 0.79 | — | — | |
| SCHEMBL22148539 | 0.78 | — | — | |
| SCHEMBL22184097 | 0.75 | — | — | |
| SCHEMBL20008303 | 0.75 | — | — | |
| SCHEMBL1476251 | 0.75 | — | — | |
| SCHEMBL18606044 | 0.75 | — | — | |
| SCHEMBL11600251 | 0.75 | — | — | |
| SCHEMBL11002792 | 0.75 | — | — |
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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3959111-B2 | — | — | 2007-08-15 | — | — | JP | claimed |
| WO-2002085842-A2 | METHOD FOR ISOMERIZATION OF BRANCHED UNSATURATED MONONITRILES INTO LINEAR UNSATURATED MONONITRILES | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2002-10-31 | — | — | WO | claimed |
| EP-1000021-B1 | HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALYKL-3-MONOALKENENITRILES | DU PONT (US) | 2002-10-02 | — | — | EP | claimed |
| JP-2002509550-A | — | — | 2002-03-26 | — | — | JP | claimed |
| EP-1000021-A1 | HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALYKL-3-MONOALKENENITRILES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-05-17 | — | — | EP | claimed |
| EP-1000020-A1 | HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES | E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) | 2000-05-17 | — | — | EP | claimed |
| US-6020516-A | Hydrocyanation of diolefins and isomerization of nonconjugated 2-alkyl-3-monoalkenenitriles | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-02-01 | — | — | US | claimed |
| EP-0804412-B1 | HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES | DU PONT (US) | 1999-12-01 | — | — | EP | claimed |
| US-5981772-A | CONDUCTING THE PROCESS IN THE PRESENCE OF ZERO-VALENT NICKEL AND A MULTIDENTATE PHOSPHITE LIGAND | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-11-09 | — | — | US | claimed |
| WO-1999006355-A1 | HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-02-11 | — | — | WO | claimed |
| WO-1999006357-A1 | HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALYKL-3-MONOALKENENITRILES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-02-11 | — | — | WO | claimed |
| US-5821378-A | USING A NICKEL COMPLEX HAVING MULTIDENTATE PHOSPHITE LIGANDS AS CATALYST; LIQUID PHASE | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-10-13 | — | — | US | claimed |
| EP-0804412-A1 | HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1997-11-05 | — | — | EP | claimed |
| WO-1996022968-A1 | HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-08-01 | — | — | WO | claimed |
| WO-2020146470-A1 | Phosphatase Binding Compounds and Methods of Using Same | YALE UNIVERSITY (US) | 2020-07-16 | — | — | WO | disclosed |
| US-20200203622-A1 | COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES | KYULUX, INC. (JP) | 2020-06-25 | — | — | US | disclosed |
| EP-1905511-B1 | Polymeric phosphorus-containing compositions and their use in hydrocyanation, unsaturated nitrile isomerization and hydroformylation reactions | INVISTA TECH SARL (CH) | 2013-03-27 | — | — | EP | disclosed |
| WO-1996022968-A1 | HYDROCYANATION OF DIOLEFINS AND ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-08-01 | — | — | WO | disclosed |
| WO-1996016025-A1 | CATALYZED GAS PHASE ISOMERIZATION OF NONCONJUGATED 2-ALKYL-3-MONOALKENENITRILES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-05-30 | — | — | WO | disclosed |
| US-5440067-A | Controlled heating of unsaturated alkyl nitrile with supported catalyst containing zero-valent nickel and bidentate phosphite | E. I. DUPONT DE NEMOURS AND COMPANY (US) | 1995-08-08 | — | — | US | disclosed |