⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL647114 | 0.80 | — | — | |
| SCHEMBL4584646 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL29354497 | 0.77 | HSP90AA1 (0.47) | — | |
| Boric Acid SCHEMBL28489955 | 0.71 | — | — | |
| SCHEMBL29740059 | 0.65 | ESR1 (0.33) | — | |
| SCHEMBL19555269 | 0.65 | — | — | |
| SCHEMBL7925011 | 0.65 | ESR1 (0.33) | — | |
| SCHEMBL2668928 | 0.65 | — | — | |
| SCHEMBL1404008 | 0.65 | — | — | |
| SCHEMBL1763259 | 0.65 | — | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9045468-B2 | 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-06-02 | — | — | US | claimed |
| EP-2606049-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | Albany Molecular Research, Inc. (US) | 2013-06-26 | — | — | EP | claimed |
| WO-2012024397-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-02-23 | — | — | WO | claimed |
| US-20120046271-A1 | 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-23 | — | — | US | claimed |
| US-20160235858-A1 | LIGAND-THERAPEUTIC AGENT CONJUGATES, SILICON-BASED LINKERS, AND METHODS FOR MAKING AND USING THEM | ALBANY MOLECULAR RES INC (US) | 2016-08-18 | — | — | US | disclosed |
| US-9352049-B2 | Ligand-therapeutic agent conjugates, silicon-based linkers, and methods for making and using them | ALBANY MOLECULAR RESEARCH, INC. (US) | 2016-05-31 | — | — | US | disclosed |
| EP-2968599-A1 | LIGAND-THERAPEUTIC AGENT CONJUGATES AND SILICON-BASED LINKERS | Albany Molecular Research, Inc. (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2015129773-A1 | ISOXAZOLE DERIVATIVE AND AGRICULTURAL/HORTICULTURAL PLANT DISEASE CONTROL AGENT | クミアイ化学工業株式会社 | 2015-09-03 | — | — | WO | disclosed |
| US-9045468-B2 | 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin | ALBANY MOLECULAR RESEARCH, INC. (US) | 2015-06-02 | — | — | US | disclosed |
| WO-2014160305-A1 | LIGAND-THERAPEUTIC AGENT CONJUGATES AND SILICON-BASED LINKERS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2014-10-02 | — | — | WO | disclosed |
| US-20140274951-A1 | LIGAND-THERAPEUTIC AGENT CONJUGATES, SILICON-BASED LINKERS, AND METHODS FOR MAKING AND USING THEM | ALBANY MOLECULAR RESEARCH, INC. (US) | 2014-09-18 | — | — | US | disclosed |
| EP-1717230-B1 | FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE | MSD KK (JP) | 2014-08-06 | — | — | EP | disclosed |
| WO-2012024397-A2 | 2,5-METHANO-AND 2,5-ETHANO-TETRAHYDROBENZAZEPINE DERIVATIVES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | ALBANY MOLECULAR RESEARCH, INC. (US) | 2012-02-23 | — | — | WO | disclosed |
| US-20120046271-A1 | 2,5-Methano- and 2,5-Ethano-Tetrahydrobenzazepine Derivatives And Use Thereof To Block Reuptake Of Norepinephrine, Dopamine, and Serotonin | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-23 | — | — | US | disclosed |
| CN-1918128-B | fused ring 4-oxo-pyrimidine derivatives | BANYU PHARMA CO LTD | 2011-01-26 | — | — | CN | disclosed |
| US-20090209562-A1 | Fused ring 4-oxopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-08-20 | — | — | US | disclosed |
| US-7521455-B2 | Fused ring 4-oxopyrimidine derivative | BANYU PHARMACEUTICAL CO. LTD. (JP) | 2009-04-21 | — | — | US | disclosed |
| CN-1918128-A | Fused ring 4-oxo-pyrimidine derivatives | BANYU PHARMA CO LTD (JP) | 2007-02-21 | — | — | CN | disclosed |
| EP-1717230-A1 | FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-11-02 | — | — | EP | disclosed |
| US-20050182045-A1 | Fused ring 4-oxopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-08-18 | — | — | US | disclosed |