⚠ 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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL29165293 | 0.79 | TSHR (0.47) | — | |
| SCHEMBL1284708 | 0.77 | — | — | |
| SCHEMBL16253867 | 0.77 | — | — | |
| SCHEMBL172655 | 0.75 | — | — | |
| SCHEMBL9667176 | 0.75 | — | — | |
| SCHEMBL8776143 | 0.75 | — | — | |
| SCHEMBL9667218 | 0.75 | — | — | |
| SCHEMBL49756 | 0.75 | — | — | |
| SCHEMBL11680699 | 0.74 | — | — | |
| SCHEMBL22452084 | 0.72 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104011028-A | N-SUBSTITUTED AMINOBENZOCYCLOHEPTENE, AMINOTETRALINE, AMINOINDANE AND PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBVIE DEUTSCHLAND | 2014-08-27 | — | — | CN | disclosed |
| CN-103889968-A | Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & AMP | 2014-06-25 | — | — | CN | disclosed |
| CN-102083797-B | Tetrahydroisoquinolines, pharmaceutical compositions containing them and their use in therapy | ABBOTT GMBH & CO KG | 2014-06-04 | — | — | CN | disclosed |
| CN-101784533-B | 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & CO KG | 2013-08-21 | — | — | CN | disclosed |
| CN-103237788-A | Phenalkylamine derivatives, pharmaceutical compositions containing them and their use in therapy | ABBVIE DEUTSCHLAND | 2013-08-07 | — | — | CN | disclosed |
| CN-103224487-A | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & CO KG | 2013-07-31 | — | — | CN | disclosed |
| CN-103209964-A | Phenalkylamine derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE DEUTSCHLAND | 2013-07-17 | — | — | CN | disclosed |
| CN-103189337-A | Aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE GMBH & CO KG | 2013-07-03 | — | — | CN | disclosed |
| CN-103180299-A | Tetraline and indane derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & CO KG | 2013-06-26 | — | — | CN | disclosed |
| CN-102083797-A | Tetrahydroisoquinolines, pharmaceutical compositions containing them and their use in therapy | ABBOTT GMBH & CO KG | 2011-06-01 | — | — | CN | disclosed |
| CN-101784533-A | 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & CO KG | 2010-07-21 | — | — | CN | disclosed |