⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26003703 | 0.93 | DPP4 (0.34) | — | |
| SCHEMBL9394550 | 0.90 | GBA1 (0.40) | — | |
| SCHEMBL3429842 | 0.84 | — | — | |
| SCHEMBL1273487 | 0.84 | ALDH1A1 (0.41) | — | |
| SCHEMBL16283436 | 0.83 | GBA1 (0.39) | — | |
| SCHEMBL4534651 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL8090548 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL3954846 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL8011003 | 0.81 | ALDH1A1 (0.39) | — | |
| SCHEMBL151133 | 0.81 | — | — |
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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1215196-B1 | Selective reductive amination of nitriles | AIR PROD & CHEM (US) | 2004-05-12 | — | — | EP | claimed |
| EP-0913388-B1 | Hydrogenation of nitriles to produce amines | AIR PROD & CHEM (US) | 2003-10-01 | — | — | EP | claimed |
| EP-1094058-B1 | Selective reductive amination of nitriles | AIR PROD & CHEM (US) | 2003-09-03 | — | — | EP | claimed |
| 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 | claimed |
| EP-1094058-A1 | Selective reductive amination of nitriles | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-04-25 | — | — | EP | claimed |
| 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 |
| US-4751298-A | Production of 1-(3-hydroxy-propyl)-1,4-diazepane and 1,4-bis(3,4,5-trimethoxy-benzoyloxy)-propyl-diazepane derivatives thereof | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1988-06-14 | — | — | US | claimed |
| EP-0152598-B1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1988-04-20 | — | — | EP | claimed |
| EP-0152598-A1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1985-08-28 | — | — | EP | claimed |
| US-20090181948-A1 | DIAMINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2009-07-16 | — | — | US | disclosed |
| EP-1847530-A1 | DIAMINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 2007-10-24 | — | — | EP | disclosed |
| 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 |
| US-4751298-A | Production of 1-(3-hydroxy-propyl)-1,4-diazepane and 1,4-bis(3,4,5-trimethoxy-benzoyloxy)-propyl-diazepane derivatives thereof | DEGUSSA AKTIENGESELLSCHAFT (DE) | 1988-06-14 | — | — | US | disclosed |
| EP-0152598-B1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1988-04-20 | — | — | EP | disclosed |
| EP-0152598-A1 | Cyanomethyl-(2-cyano-ethyl)-(3-hydroxy-propyl)-amine and its use for the production of 1-(3-hydroxy-propyl)-1,4-diazepan and 1,4-bis-[3-(3,4,5-trimethoxy-benzoyloxy)-propyl]-diazepan | Degussa Aktiengesellschaft (DE) | 1985-08-28 | — | — | EP | disclosed |
| US-4156693-A | HYDROXYPROPYLATION WITH OXETANE, SALT FORMATION WITH HYDROHALIDE, CHLORINATION WITH THIONYL CHLORIDE | MERCK & CO., INC. (US) | 1979-05-29 | — | — | US | disclosed |
| US-4016209-A | 3-[N'-(3-Halopropyl)-N-'-methylamino]-N,N,N-trimethyl-1-propanaminium halide and acid addition salts thereof | MERCK & CO., INC. (US) | 1977-04-05 | — | — | US | disclosed |