⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18289484 | 0.79 | — | — | |
| SCHEMBL10891827 | 0.77 | — | — | |
| SCHEMBL9879686 | 0.74 | — | — | |
| SCHEMBL22148540 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL10937979 | 0.69 | — | — | |
| SCHEMBL317552 | 0.69 | — | — | |
| SCHEMBL10937975 | 0.69 | — | — | |
| SCHEMBL7087574 | 0.69 | — | — | |
| SCHEMBL8078932 | 0.67 | — | — | |
| SCHEMBL570794 | 0.65 | — | — |
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-1697303-A4 | CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF | STIEFEL LABORATORIES (US) | 2007-07-04 | — | — | EP | disclosed |
| EP-1697303-A1 | CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF | STIEFEL LABORATORIES, INC. (US) | 2006-09-06 | — | — | EP | disclosed |
| US-20060047171-A1 | Catalytic hydrogenation of nitriles to produce capsaicinoid derivatives and amine compounds, and methods for purifying and obtaining the polymorphs thereof | STIEFEL LABORATORIES, INC. | 2006-03-02 | — | — | US | disclosed |
| WO-2005068414-A1 | CATALYTIC HYDROGENATION OF NITRILES TO PRODUCE CAPSAICINOID DERIVATIVES AND AMINE COMPOUNDS, AND METHODS FOR PURIFIYING AND OBTAINING THE POLYMORPHS THEREOF | STIEFEL LABORATORIES, INC. (US) | 2005-07-28 | — | — | WO | disclosed |
| EP-1215196-B1 | Selective reductive amination of nitriles | AIR PROD & CHEM (US) | 2004-05-12 | — | — | EP | disclosed |
| EP-1094058-B1 | Selective reductive amination of nitriles | AIR PROD & CHEM (US) | 2003-09-03 | — | — | EP | disclosed |
| EP-1215196-A1 | Selective reductive amination of nitriles | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-06-19 | — | — | EP | disclosed |
| US-6399830-B1 | USING CATALYST | AIR PRODUCTS AND CHEMICALS, INC. | 2002-06-04 | — | — | US | disclosed |
| US-6248925-B1 | REACTING A NITRILE WITH A PRIMARY OR SECONDARY AMINE EFFECTING CONVERSION OF THE NITRILE GROUP TO THE CORRESPONDING SECONDARY OR TERTIARY AMINE; PROMOTIONALLY EFFECTIVE AMOUNT OF A LITHIUM COMPOUND OR SODIUM CHLORIDE. | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-19 | — | — | US | disclosed |
| EP-1094058-A1 | Selective reductive amination of nitriles | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-04-25 | — | — | EP | disclosed |