⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL297924 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5595671 | 0.77 | — | — | |
| SCHEMBL5146762 | 0.76 | — | — | |
| SCHEMBL5707589 | 0.76 | — | — | |
| SCHEMBL13850664 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL31424303 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL525195 | 0.74 | LMNA (0.36) | — | |
| SCHEMBL11197516 | 0.73 | — | — | |
| SCHEMBL5736275 | 0.73 | SLC1A2 (0.36) | — | |
| SCHEMBL11581422 | 0.73 | SLC1A2 (0.36) | — |
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 32 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 |
| EP-1215196-A1 | Selective reductive amination of nitriles | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-06-19 | — | — | EP | claimed |
| US-6399830-B1 | USING CATALYST | AIR PRODUCTS AND CHEMICALS, INC. | 2002-06-04 | — | — | US | 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 |
| EP-0323399-B1 | OPTICAL BRIGHTENER DISPERSION | CIBA-GEIGY AG (CH) | 1993-02-17 | — | — | EP | claimed |
| EP-0323399-A1 | Optical brightener dispersion | CIBA-GEIGY AG (CH) | 1989-07-05 | — | — | EP | claimed |
| US-4404167-A | AMINO NITRILE INHIBITORS | ROZENFELD IOSIF L | 1983-09-13 | — | — | US | claimed |
| CN-113149850-A | Process for continuously preparing N-hydroxyethyl-1, 3-propane diamine by using micro-mixing and fixed bed reactor | 大连理工大学 | 2021-07-23 | — | — | CN | 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-4404167-A | AMINO NITRILE INHIBITORS | ROZENFELD IOSIF L | 1983-09-13 | — | — | US | disclosed |
| US-4235730-A | DISPERSANTS | TEXACO INC. (US) | 1980-11-25 | — | — | US | disclosed |
| US-4184024-A | Polyurethanes prepared from polyols from 2,3-morpholinediones | TEXACO DEVELOPMENT CORP. (US) | 1980-01-15 | — | — | US | disclosed |
| US-4118422-A | Polyols from 2,3-morpholinediones | TEXACO DEVELOPMENT CORP. (US) | 1978-10-03 | — | — | US | disclosed |