⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25015444 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL25015435 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL10037283 | 0.75 | — | — | |
| SCHEMBL12267290 | 0.75 | — | — | |
| SCHEMBL10035694 | 0.75 | — | — | |
| SCHEMBL25015389 | 0.75 | SLC7A5 (0.36) | — | |
| SCHEMBL25015391 | 0.75 | SLC7A5 (0.36) | — | |
| SCHEMBL19523358 | 0.75 | SLC7A5 (0.36) | — | |
| SCHEMBL17789296 | 0.75 | SLC7A5 (0.36) | — | |
| SCHEMBL26778079 | 0.75 | SLC7A5 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2739614-B1 | AMINOCHROMANEs, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBVIE DEUTSCHLAND (DE) | 2017-02-22 | — | — | EP | disclosed |
| EP-2396296-B1 | AMINOTETRALINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | ABBVIE DEUTSCHLAND (DE) | 2016-05-25 | — | — | EP | disclosed |
| US-8653100-B2 | Tetrahydroisoquinolines, pharmaceutical compositions containing them, and their use in therapy | ABBVIE INC. (US) | 2014-02-18 | — | — | US | disclosed |
| US-20110105502-A1 | TETRAHYDROISOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | Abbott BmbH & Co. KG (DE) | 2011-05-05 | — | — | US | disclosed |