Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Tert-Butylamine SCHEMBL28665579 | 0.94 | FDPS (0.31) | — | |
| Tert-Butylamine SCHEMBL28384687 | 0.94 | — | — | |
| Tert-Butylamine SCHEMBL315079 | 0.94 | — | — | |
| Tert-Butylamine SCHEMBL4699299 | 0.94 | — | — | |
| Tert-Butylamine SCHEMBL7781705 | 0.94 | — | — | |
| Tert-Butylamine SCHEMBL331675 | 0.94 | — | — | |
| Tert-Butylamine SCHEMBL6330044 | 0.88 | — | — | |
| Tert-Butylamine SCHEMBL7125928 | 0.88 | — | — | |
| Tert-Butylamine SCHEMBL16859666 | 0.88 | — | — | |
| Tert-Butylamine SCHEMBL28614525 | 0.88 | — | — |
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-2621926-B1 | PYRAZOLOPYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2017-08-30 | — | — | EP | disclosed |
| EP-2714041-B1 | ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2016-10-19 | — | — | EP | disclosed |
| EP-2748151-B1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2016-03-16 | — | — | EP | disclosed |
| US-9062059-B2 | Pyrimidine PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-06-23 | — | — | US | disclosed |
| US-8975261-B2 | Aryloxmethyl cyclopropane derivatives as PDE10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-03-10 | — | — | US | disclosed |
| US-8957077-B2 | Pyrazolopyrimidine PDE 10 inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-02-17 | — | — | US | disclosed |
| US-20140336195-A1 | ARYLOXMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS | MERCK SHARP & DOHME LLC | 2014-11-13 | — | — | US | disclosed |
| US-20140228368-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | disclosed |
| EP-2748151-A1 | PYRIMIDINE PDE10 INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-07-02 | — | — | EP | disclosed |
| US-20130137707-A1 | PYRAZOLOPYRIMIDINE PDE 10 INHIBITORS | MERCK SHARP & DOHME LLC | 2013-05-30 | — | — | US | disclosed |
| WO-2013028590-A1 | PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-02-28 | — | — | WO | disclosed |
| WO-2012162213-A1 | ARYLOXYMETHYL CYCLOPROPANE DERIVATIVES AS PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-11-29 | — | — | WO | disclosed |
| EP-1440061-B1 | PROCESSES FOR THE MANUFACTURING OF 3-HYDROXY-N,1,6-TRIALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE | APOTEX INC (CA) | 2007-04-11 | — | — | EP | disclosed |
| EP-1440061-A1 | PROCESSES FOR THE MANUFACTURING OF 3-HYDROXY-N,1,6-TRIALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE | APOTEX INC. (CA) | 2004-07-28 | — | — | EP | disclosed |
| WO-2003037867-A1 | PROCESSES FOR THE MANUFACTURING OF 3-HYDROXY-N,1,6-TRIALKYL-4-OXO-1,4-DIHYDROPYRIDINE-2-CARBOXAMIDE | APOTEX INC. (CA) | 2003-05-08 | — | — | WO | disclosed |
| US-6476229-B1 | Processes for the manufacturing of 3-hydroxy-N,1,6-trialkyl-4-oxo-1,4-dihydropyridine-2-carboxamide | APOTEX, INC. (CA) | 2002-11-05 | — | — | US | disclosed |
| US-6472532-B1 | INEXPENSIVE METHOD USING KOJIC ACID AS SAFE STARTING MATERIAL FOR SYNTHESIS OF ORALLY ACTIVE IRON CHELATORS | APOTEX, INC. (CA) | 2002-10-29 | — | — | US | disclosed |
| US-6426418-B1 | REACTING A 3-OXY-2-HYDROXYALKYL-4H-PYRAN-4-ONE DERIVATIVE WITH SODIUM HYPOCHLORITE SOLUTION, POTASSIUM BROMIDE, TEMPO, AND A PHASE TRANSFER CATALYST TO PRODUCE A 3-OXY-2-CARBOXY-4H-PYRAN-4-ONE DERIVATIVE | APOTEX, INC. (CA) | 2002-07-30 | — | — | US | disclosed |