⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8698783 | 0.77 | TSHR (0.43) | — | |
| Ethane SCHEMBL10936937 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL1926576 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL17183880 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL7749022 | 0.72 | — | — | |
| SCHEMBL28223604 | 0.72 | — | — | |
| SCHEMBL10936380 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL10936924 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL3214992 | 0.70 | — | — | |
| SCHEMBL31426785 | 0.70 | TSHR (0.39) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1221436-B1 | Process for the preparation of secondary amines from nitriles | BASF AG (DE) | 2007-04-18 | — | — | EP | disclosed |
| CN-1230417-C | Process for preparing primary and secondary amines from nitriles | BASF AG (DE) | 2005-12-07 | — | — | CN | disclosed |
| CN-1220673-C | Preparation method of secondary amine by using hydrocyanic ester | BASF AG (DE) | 2005-09-28 | — | — | CN | 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 |
| CN-1367164-A | Preparation method of secondary amine by using hydrocyanic ester | BASF AG (DE) | 2002-09-04 | — | — | CN | disclosed |
| CN-1365965-A | Process for preparing primary and secondary amines from nitriles | BASF AG (DE) | 2002-08-28 | — | — | CN | disclosed |
| US-20020091194-A1 | Preparation of primary and secondary amines from nitriles | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-11 | — | — | US | disclosed |
| EP-1221436-A2 | Process for the preparation of secondary amines from nitriles | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-10 | — | — | EP | disclosed |
| EP-1221437-A1 | Process for the preparation of primary and secondary amines from nitriles | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-10 | — | — | EP | 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 |