⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13201622 | 0.71 | — | — | |
| SCHEMBL20850033 | 0.67 | SLC6A3 (0.38) | — | |
| SCHEMBL19524701 | 0.67 | EPHX1 (0.32) | — | |
| SCHEMBL21129893 | 0.67 | SLC6A3 (0.38) | — | |
| SCHEMBL10282415 | 0.67 | EPHX1 (0.32) | — | |
| SCHEMBL7967672 | 0.66 | TSHR (0.30) | — | |
| SCHEMBL9385428 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL23191002 | 0.63 | FOLH1 (0.31) | — | |
| SCHEMBL20998286 | 0.63 | — | — | |
| SCHEMBL10909583 | 0.63 | HMGCR (0.40) | — |
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-20170297055-A1 | Plasma Deposition Method For Catechol/Quinone Functionalised Layers | LUXEMBOURG INSTITUTE OF SCIENCE AND TECHNOLOGY (LIST) (LU) | 2017-10-19 | — | — | US | disclosed |