⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17185015 | 0.67 | LMNA (0.44) | — | |
| SCHEMBL669118 | 0.61 | — | — | |
| SCHEMBL17103382 | 0.61 | — | — | |
| SCHEMBL17103310 | 0.61 | — | — | |
| SCHEMBL747462 | 0.60 | — | — | |
| SCHEMBL507417 | 0.60 | SLC6A2 (0.45) | — | |
| SCHEMBL2478648 | 0.60 | ESR1 (0.34) | — | |
| SCHEMBL1973396 | 0.59 | ESR1 (0.43) | — | |
| SCHEMBL17103287 | 0.59 | — | — | |
| SCHEMBL14593355 | 0.59 | ESR1 (0.48) | — |
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 4 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 |
| 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-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 |
| 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 |