⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18663893 | 0.59 | — | — | |
| SCHEMBL16057036 | 0.57 | KDM4E (0.35) | — | |
| SCHEMBL1325616 | 0.56 | — | — | |
| SCHEMBL5492205 | 0.55 | KDM4E (0.33) | — | |
| SCHEMBL15372565 | 0.55 | — | — | |
| SCHEMBL12081656 | 0.54 | ALDH1A1 (0.31) | — | |
| SCHEMBL15057332 | 0.53 | — | — | |
| SCHEMBL209117 | 0.51 | — | — | |
| SCHEMBL16273227 | 0.48 | ALDH1A1 (0.35) | — | |
| SCHEMBL2946011 | 0.46 | — | — |
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 15 patents. 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 |
| 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 |
| 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-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 |
| 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 |
| US-8575114-B2 | SGLT-2 inhibitors, methods of making them, and uses thereof | ALBANY MOLECULAR RESEARCH, INC. (US) | 2013-11-05 | — | — | US | disclosed |
| 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 | 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 |
| 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-20110237527-A1 | SGLT-2 INHIBITORS, METHODS OF MAKING THEM, AND USES THEREOF | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-09-29 | — | — | US | disclosed |