⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2467498 | 0.77 | LPL (0.44) | — | |
| SCHEMBL16243900 | 0.73 | — | — | |
| SCHEMBL22299902 | 0.69 | MAPK14 (0.41) | — | |
| SCHEMBL22299904 | 0.69 | KDM4E (0.38) | — | |
| SCHEMBL22299971 | 0.68 | LIPG (0.47) | — | |
| SCHEMBL390494 | 0.66 | LPL (0.40) | — | |
| SCHEMBL15978016 | 0.65 | LPL (0.32) | — | |
| SCHEMBL22299905 | 0.65 | CYP2A6 (0.41) | — | |
| SCHEMBL4753672 | 0.65 | LPL (0.38) | — | |
| SCHEMBL10085129 | 0.65 | GLA (0.33) | — |
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-20120024382-A1 | NOVEL COMPOUNDS, DERIVATIVES THEREOF AND THEIR USE IN HETEROJUNCTION DEVICES | THE UNIVERSITY OF ULM (DE) | 2012-02-02 | — | — | US | disclosed |