⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19883375 | 0.80 | — | — | |
| SCHEMBL3375511 | 0.80 | — | — | |
| SCHEMBL108766 | 0.77 | — | — | |
| SCHEMBL31509462 | 0.77 | — | — | |
| SCHEMBL28298582 | 0.77 | — | — | |
| SCHEMBL16372552 | 0.76 | SLC7A5 (0.48) | — | |
| SCHEMBL29695292 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL109110 | 0.73 | — | — | |
| SCHEMBL1923143 | 0.73 | ALDH1A1 (0.53) | — | |
| SCHEMBL105886 | 0.72 | ALDH1A1 (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150158842-A1 | PHENALKYLAMINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-06-11 | — | — | US | disclosed |