⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5481930 | 0.86 | ALDH1A1 (0.50) | — | |
| Ether SCHEMBL10481092 | 0.81 | ALDH1A1 (0.48) | — | |
| SCHEMBL1470218 | 0.78 | ALDH1A1 (0.58) | — | |
| SCHEMBL342 | 0.77 | — | — | |
| SCHEMBL27838562 | 0.77 | ALDH1A1 (0.56) | — | |
| SCHEMBL8022252 | 0.77 | — | — | |
| SCHEMBL616408 | 0.77 | — | — | |
| SCHEMBL26112831 | 0.77 | THRB (0.44) | — | |
| SCHEMBL10249594 | 0.76 | — | — | |
| SCHEMBL445412 | 0.76 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3071575-B1 | PREPARATION OF NORMORPHINANS | SpecGx LLC (US) | 2019-11-13 | — | — | EP | disclosed |
| EP-3071575-A1 | PREPARATION OF NORMORPHINANS | Mallinckrodt LLC (US) | 2016-09-28 | — | — | EP | disclosed |
| US-9127009-B2 | Preparation of normorphinans | MALLINCKRODT LLC | 2015-09-08 | — | — | US | disclosed |
| WO-2015074049-A1 | PREPARATION OF NORMORPHINANS | MALLINCKRODT LLC (US) | 2015-05-21 | — | — | WO | disclosed |
| US-20150141649-A1 | PREPARATION OF NORMORPHINANS | VTESSE LLC | 2015-05-21 | — | — | US | disclosed |
| EP-2601196-B1 | N-DEMETHYLATION OF 6-KETO MORPHINANS | MALLINCKRODT LLC (US) | 2014-04-30 | — | — | EP | disclosed |
| EP-2601195-B1 | TANDEM PROCESS FOR PREPARING N-ALKYL MORPHINANS | MALLINCKRODT LLC (US) | 2014-04-23 | — | — | EP | disclosed |
| US-8703949-B2 | Tandem process for preparing N-alkyl morphinans | MALLINCKRODT LLC (US) | 2014-04-22 | — | — | US | disclosed |
| US-8624030-B2 | N-demethylation of 6-keto morphinans | MALLINCKRODT LLC (US) | 2014-01-07 | — | — | US | disclosed |
| EP-2601196-A1 | N-DEMETHYLATION OF 6-KETO MORPHINANS | Mallinckrodt LLC (US) | 2013-06-12 | — | — | EP | disclosed |
| EP-2601195-A1 | TANDEM PROCESS FOR PREPARING N-ALKYL MORPHINANS | Mallinckrodt LLC (US) | 2013-06-12 | — | — | EP | disclosed |
| US-8163756-B2 | For example,1-(3-t-butyl-1- (1,2,3,4-tetrahydro- isoquinolin-6-yl)-1H- pyrazol-5-yl)-3-(3- cyanophenyl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies | DECIPHERA PHARMACEUTICALS, LLC (US) | 2012-04-24 | — | — | US | disclosed |
| US-20120035367-A1 | Tandem Process for Preparing N-Alkyl Morphinans | Mallinckrodt LLC. (US) | 2012-02-09 | — | — | US | disclosed |
| US-20120035366-A1 | N-Demethylation of 6-Keto Morphinans | MALLINCKRODT LLC (US) | 2012-02-09 | — | — | US | disclosed |
| WO-2012018871-A1 | TANDEM PROCESS FOR PREPARING N-ALKYL MORPHINANS | MALLINCKRODT LLC (US) | 2012-02-09 | — | — | WO | disclosed |
| WO-2012018872-A1 | N-DEMETHYLATION OF 6-KETO MORPHINANS | MALLINCKRODT LLC (US) | 2012-02-09 | — | — | WO | disclosed |