⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21197611 | 0.82 | — | — | |
| SCHEMBL5789339 | 0.78 | — | — | |
| SCHEMBL2480705 | 0.77 | — | — | |
| SCHEMBL10537585 | 0.76 | SHBG (0.32) | — | |
| SCHEMBL7561849 | 0.74 | SLC6A4 (0.38) | — | |
| SCHEMBL29077030 | 0.74 | — | — | |
| SCHEMBL28835012 | 0.74 | SHBG (0.31) | — | |
| SCHEMBL24019908 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL6794516 | 0.71 | — | — | |
| SCHEMBL25044932 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6472553-B1 | REACTING ACRYLONITRILE WITH CYCLOALIPHATIC VICINAL DIAMINES IN THE PRESENCE OF WATER AND AN ACID CATALYST WITH PKA OF -3.0-7. 5 | AIR PRODUCTS AND CHEMICALS, INC. | 2002-10-29 | — | — | US | disclosed |
| US-20020156315-A1 | SYNTHESIS OF NEW POLYNITRILES FROM CYCLOALIPHATIC VICINAL PRIMARY DIAMINES | BURDENIUC JUAN JESUS (US) | 2002-10-24 | — | — | US | disclosed |
| US-6433212-B1 | COMPOUNDS WITH SECONDARY AMINE AND NITRILE GROUPS | AIR PRODUCTS AND CHEMICALS, INC. | 2002-08-13 | — | — | US | disclosed |
| EP-1229021-A1 | Synthesis of new polynitriles from cycloaliphatic vicinal primary diamines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-08-07 | — | — | EP | disclosed |
| US-6121493-A | Isomerization of cyclohexylamines to produce their thermodynamic isomeric form | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-09-19 | — | — | US | disclosed |