⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13074302 | 0.79 | — | — | |
| SCHEMBL25180 | 0.79 | — | — | |
| SCHEMBL27926256 | 0.74 | — | — | |
| SCHEMBL14946732 | 0.68 | TSHR (0.38) | — | |
| Alcohol SCHEMBL11633354 | 0.67 | ADH1B (0.42) | — | |
| SCHEMBL28140281 | 0.67 | — | — | |
| SCHEMBL1678746 | 0.66 | — | — | |
| SCHEMBL7876792 | 0.65 | — | — | |
| SCHEMBL2543287 | 0.65 | — | — | |
| SCHEMBL5843065 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105992764-A | Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy | 艾伯维德国有限责任两合公司 | 2016-10-05 | — | — | CN | disclosed |
| CN-105764895-A | Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy | 艾伯维德国有限责任两合公司 | 2016-07-13 | — | — | CN | disclosed |
| CN-102395588-A | Heterocyclic compounds, pharmaceutical compositions containing them, and their use as inhibitors of the glycine transporter 1 | ABBOTT GMBH & CO KG | 2012-03-28 | — | — | CN | disclosed |
| CN-102395558-A | Aminotetraline derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBOTT GMBH & CO KG | 2012-03-28 | — | — | CN | disclosed |