⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13575689 | 0.82 | — | — | |
| SCHEMBL25053428 | 0.80 | — | — | |
| SCHEMBL25626401 | 0.80 | PIK3CD (0.32) | — | |
| SCHEMBL22018608 | 0.79 | PIK3CD (0.30) | — | |
| SCHEMBL24850079 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL20125506 | 0.76 | PLA2G1B (0.32) | — | |
| SCHEMBL22242872 | 0.75 | LMNA (0.33) | — | |
| SCHEMBL26532165 | 0.75 | — | — | |
| SCHEMBL22738491 | 0.75 | — | — | |
| SCHEMBL21683056 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190290632-A1 | Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy | AbbVie Deutschland GmbH & Co. KG (DE) | 2019-09-26 | — | — | US | disclosed |
| US-20170172993-A1 | Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy | ABBVIE INC. | 2017-06-22 | — | — | US | disclosed |