⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11050723 | 0.75 | — | — | |
| SCHEMBL181414 | 0.74 | PRMT3 (0.33) | — | |
| SCHEMBL11197514 | 0.73 | — | — | |
| SCHEMBL4870362 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL11237888 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL28074882 | 0.72 | TDP1 (0.39) | — | |
| SCHEMBL9775699 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL21623634 | 0.69 | — | — | |
| SCHEMBL3377896 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL18553317 | 0.67 | LMNA (0.31) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107922579-A | Reactive amine catalysts for polyurethane application | 赢创德固赛有限公司 | 2018-04-17 | — | — | CN | claimed |
| EP-1207149-B1 | Process for the hydrogenation of nitriles on Raney catalysts | BASF AG (DE) | 2005-01-26 | — | — | EP | claimed |
| EP-1209146-B1 | Process for the hydrogenation of nitriles to primary amines using Raney-catalysts | BASF AG (DE) | 2004-06-30 | — | — | EP | claimed |
| US-6677486-B2 | HYDROGENATING NITRITES TO PRIMARY AMINES OVER AN ACTIVATED, ALPHA-ALUMINUM OXIDE(AL2O3)-CONTAINING, MACROPOROUS RANEY CATALYST BASED ON AN ALLOY OF ALUMINUM AND AT LEAST ONE TRANSITION METAL | BASF AKTIENGESELLSCHAFT (DE) | 2004-01-13 | — | — | US | claimed |
| US-6469211-B2 | CONTINUOUS HYDROGENATION OF NITRITES TO PRIMARY AMINES IN THE LIQUID PHASE OVER A SUSPENDED, ACTIVATED RANEY CATALYST BASED ON AN ALLOY OF ALUMINUM AND AT LEAST ONE TRANSITION METAL, IN ABSENCE OF AMMONIA | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-22 | — | — | US | claimed |
| US-20020058841-A1 | Hydrogenation of nitriles over Raney catalysts | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-16 | — | — | US | claimed |
| US-20020058842-A1 | Hydrogenation of nitriles over raney catalysts | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-16 | — | — | US | claimed |
| US-4482743-A | (((DIALKYLAMINO)ALKYL)AMINO)ALKANONITRILE, BIS (( DIALKYLAMINO)ALKL)AMINE, ALKYLENE OXIDE | TEXACO INC. (US) | 1984-11-13 | — | — | US | claimed |
| CN-107922579-A | Reactive amine catalysts for polyurethane application | 赢创德固赛有限公司 | 2018-04-17 | — | — | CN | disclosed |
| US-6469211-B2 | CONTINUOUS HYDROGENATION OF NITRITES TO PRIMARY AMINES IN THE LIQUID PHASE OVER A SUSPENDED, ACTIVATED RANEY CATALYST BASED ON AN ALLOY OF ALUMINUM AND AT LEAST ONE TRANSITION METAL, IN ABSENCE OF AMMONIA | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-22 | — | — | US | disclosed |
| US-20020058842-A1 | Hydrogenation of nitriles over raney catalysts | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-16 | — | — | US | disclosed |
| US-4482743-A | (((DIALKYLAMINO)ALKYL)AMINO)ALKANONITRILE, BIS (( DIALKYLAMINO)ALKL)AMINE, ALKYLENE OXIDE | TEXACO INC. (US) | 1984-11-13 | — | — | US | disclosed |