⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11526163 | 0.97 | ALDH1A1 (0.35) | — | |
| SCHEMBL59407 | 0.85 | ALDH1A1 (0.44) | — | |
| SCHEMBL10535995 | 0.78 | — | — | |
| Ethylene Glycol SCHEMBL4854205 | 0.78 | ALDH1A1 (0.37) | — | |
| SCHEMBL23219800 | 0.76 | — | — | |
| SCHEMBL9442174 | 0.76 | — | — | |
| SCHEMBL11292505 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL27661739 | 0.74 | — | — | |
| SCHEMBL7600587 | 0.72 | — | — | |
| SCHEMBL11570347 | 0.71 | — | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5874625-A | Process to hydrogenate organic nitriles to primary amines | HENKEL CORPORATION (US) | 1999-02-23 | — | — | US | claimed |
| WO-1998019991-A1 | IMPROVED PROCESS TO HYDROGENATE ORGANIC NITRILES TO PRIMARY AMINES | HENKEL CORPORATION (US) | 1998-05-14 | — | — | WO | claimed |
| US-4302604-A | BY STARTING AT A REDUCED PRESSURE AND INCREASING PRESSURE DURING HYDROGENATION | PHILLIPS PETROLEUM COMPANY (US) | 1981-11-24 | — | — | US | claimed |
| US-4152291-A | FOR HYDROGENATION OF BRANCHED, OLEFINICALLY UNSATURATED, ALIPHATIC DINITRILE | PHILLIPS PETROLEUM COMPANY (US) | 1979-05-01 | — | — | US | claimed |
| US-8128808-B2 | Process for hydrodesulfurization, hydrodenitrogenation, hydrofinishing, or amine production | H R D CORPORATION (US) | 2012-03-06 | — | — | US | disclosed |
| EP-2379678-A1 | PROCESS FOR HYDRODESULFURIZATION, HYDRODENITROGENATION, HYDROFINISHING, OR AMINE PRODUCTION | H R D Corporation (US) | 2011-10-26 | — | — | EP | disclosed |
| US-20100294699-A1 | PROCESS FOR HYDRODESULFURIZATION, HYDRODENITROGENATION, HYDROFINISHING, OR AMINE PRODUCTION | H R D CORPORATION (US) | 2010-11-25 | — | — | US | disclosed |
| WO-2010090811-A1 | PROCESS FOR HYDRODESULFURIZATION, HYDRODENITROGENATION, HYDROFINISHING, OR AMINE PRODUCTION | H R D CORPORATION (US) | 2010-08-12 | — | — | WO | disclosed |
| US-6080884-A | HYDROGENATING A DINITRILE WITH A HYDROGEN-CONTAINING FLUID IN THE PRESENCE OF A SOLVENT AND A METAL CATALYST; EFFICIENCY, BY-PRODUCT INHIBITION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-06-27 | — | — | US | disclosed |
| US-5874625-A | Process to hydrogenate organic nitriles to primary amines | HENKEL CORPORATION (US) | 1999-02-23 | — | — | US | disclosed |
| WO-1998019991-A1 | IMPROVED PROCESS TO HYDROGENATE ORGANIC NITRILES TO PRIMARY AMINES | HENKEL CORPORATION (US) | 1998-05-14 | — | — | WO | disclosed |
| US-4383940-A | Catalysts for hydrogenation of unsaturated dinitriles | PHILLIPS PETROLEUM COMPANY (US) | 1983-05-17 | — | — | US | disclosed |
| US-4215019-A | Ruthenium-cobalt-gold catalyst for hydrogenation of unsaturated dinitriles | PHILLIPS PETROLEUM COMPANY (US) | 1980-07-29 | — | — | US | disclosed |
| US-4162223-A | RUST INHIBITOR | PHILLIPS PETROLEUM COMPANY (US) | 1979-07-24 | — | — | US | disclosed |
| US-4152291-A | FOR HYDROGENATION OF BRANCHED, OLEFINICALLY UNSATURATED, ALIPHATIC DINITRILE | PHILLIPS PETROLEUM COMPANY (US) | 1979-05-01 | — | — | US | disclosed |
| US-4143000-A | POLYALKYLENE-POLYAMINE MIXTURE | PHILLIPS PETROLEUM COMPANY (US) | 1979-03-06 | — | — | US | disclosed |
| US-4130484-A | Purification process | PHILLIPS PETROLEUM COMPANY (US) | 1978-12-19 | — | — | US | disclosed |
| US-4053515-A | RUTHENIUM, NICKEL, COBALT, PALLADIUM, OR RHODIUM CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1977-10-11 | — | — | US | disclosed |
| US-4003933-A | Hydrogenation of nitriles in absence of secondary reaction suppressant | PHILLIPS PETROLEUM COMPANY (US) | 1977-01-18 | — | — | US | disclosed |
| US-3962337-A | Hydrogenation of unsaturated dinitriles for employing palladium and ruthenium catalyst in aqueous tertiary alkanol | PHILLIPS PETROLEUM COMPANY (US) | 1976-06-08 | — | — | US | disclosed |