⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5165801 | 0.78 | MCL1 (0.32) | — | |
| SCHEMBL10909416 | 0.77 | — | — | |
| SCHEMBL21141889 | 0.70 | KIF11 (0.31) | — | |
| SCHEMBL356918 | 0.67 | — | — | |
| SCHEMBL5168688 | 0.65 | — | — | |
| SCHEMBL10887847 | 0.63 | — | — | |
| SCHEMBL19990 | 0.63 | — | — | |
| SCHEMBL2693846 | 0.61 | — | — | |
| SCHEMBL359113 | 0.61 | — | — | |
| SCHEMBL357087 | 0.61 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0913388-A1 | Hydrogenation of nitriles to produce amines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-05-06 | — | — | EP | claimed |
| US-5869653-A | USING SPONGE OR RANEY COBALT CATALYST; AMMONIA-FREE REACTION | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-02-09 | — | — | US | claimed |
| EP-1221436-B1 | Process for the preparation of secondary amines from nitriles | BASF AG (DE) | 2007-04-18 | — | — | EP | disclosed |
| EP-1221437-B1 | Process for the preparation of primary and secondary amines from nitriles | BASF AG (DE) | 2005-07-06 | — | — | EP | disclosed |
| US-6790995-B2 | BY REDUCTION WITH HYDROGEN AT GIVEN TEMPERATURE AND PRESSURIZATION USING A PALLADIUM-CONTAINING CATALYST ON A SUPPORT; INCREASED OPERATING LIFE OR LONG-TERM STABILITY OF THE CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 2004-09-14 | — | — | US | disclosed |
| EP-0869113-B1 | Process for the preparation of tertiary amines fromnitriles and secondary amines | BASF AG (DE) | 2003-06-04 | — | — | EP | disclosed |
| US-6525223-B2 | Reacting nitriles with hydrogen at from at 20-250 degrees C. and pressures of 60-350 bar in the presence of a catalyst of supported rhodium; returning the primary amines separated from the mixtures to the reaction; symmetry | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-25 | — | — | US | disclosed |
| US-20020128513-A1 | Preparation of secondary amines from nitriles | BASF AKTIENGESELLSCHAFT (DE) | 2002-09-12 | — | — | US | disclosed |
| EP-1221437-A1 | Process for the preparation of primary and secondary amines from nitriles | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-10 | — | — | EP | disclosed |
| EP-1221436-A2 | Process for the preparation of secondary amines from nitriles | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-10 | — | — | EP | disclosed |
| WO-1999032429-A2 | METHOD FOR PRODUCING SECONDARY AMINES FROM NITRILES AND PRIMARY AMINES | BASF AKTIENGESELLSCHAFT (DE) | 1999-07-01 | — | — | WO | disclosed |
| EP-0673918-B1 | Process for the preparation of peralkylated amines | BASF AG (DE) | 1999-06-02 | — | — | EP | disclosed |
| US-5894074-A | Preparation of tertiary amines from nitriles and secondary amines | BASF AKTIENGESELLSCHAFT (DE) | 1999-04-13 | — | — | US | disclosed |
| EP-0869113-A2 | Process for the preparation of tertiary amines fromnitriles and secondary amines | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-07 | — | — | EP | disclosed |
| US-5463130-A | Preparation of peralkylated amines | BASF AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | disclosed |
| EP-0673918-A1 | Process for the preparation of peralkylated amines | BASF AKTIENGESELLSCHAFT (DE) | 1995-09-27 | — | — | EP | disclosed |