⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL2802490 | 0.82 | DPP7 (0.32) | — | |
| SCHEMBL3572337 | 0.78 | — | — | |
| SCHEMBL3572343 | 0.78 | — | — | |
| SCHEMBL3572340 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL6322770 | 0.76 | SMN1; SMN2 (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL928515 | 0.76 | SMN1; SMN2 (0.43) | — | |
| SCHEMBL653687 | 0.71 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL17310897 | 0.70 | NR1H2 (0.48) | — | |
| SCHEMBL16053073 | 0.70 | NR1H2 (0.48) | — | |
| SCHEMBL29924249 | 0.70 | NR1H2 (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2258682-A2 | Amino-substituted tricyclic derivatives and methods of use | Abbott Laboratories (US) | 2010-12-08 | — | — | EP | disclosed |
| US-20090203664-A1 | (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6- DIAZABICYCLO[3.2.0]HEPTANE | ABBOTT LABORATORIES (US) | 2009-08-13 | — | — | US | disclosed |
| US-7538226-B2 | (1S,5S)-3-(5,6-dichloro-3-pyridinyl)-3,6-diazabicyclo[3.2.0]heptane | ABBOTT LABORATORIES (US) | 2009-05-26 | — | — | US | disclosed |
| US-20080275048-A1 | Substituted Diazabicycloalkane Derivates | ABBOTT LABORATORIES (US) | 2008-11-06 | — | — | US | disclosed |
| US-20080161281-A1 | Amino-Substituted Tricyclic Derivatives and Methods of Use | ABBOTT LABORATORIES (US) | 2008-07-03 | — | — | US | disclosed |
| US-7365193-B2 | Amino-substituted tricyclic derivatives and methods of use | ABBOTT LABORATORIES (US) | 2008-04-29 | — | — | US | disclosed |
| US-20080070891-A1 | (1S,5S)-3-(5,6-DICHLORO-3-PYRIDINYL)-3,6-DIAZABICYCLO[3.2.0]HEPTANE | ABBVIE INC. | 2008-03-20 | — | — | US | disclosed |
| US-20050234031-A1 | Amino-substituted tricyclic derivatives and methods of use | ABBVIE INC. | 2005-10-20 | — | — | US | disclosed |
| US-20050171079-A1 | Amino-substituted tricyclic derivatives and methods of use | SCHRIMPF MICHAEL R (US) | 2005-08-04 | — | — | US | disclosed |