⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12447687 | 0.66 | — | — | |
| SCHEMBL16478007 | 0.61 | MAOA (0.36) | — | |
| SCHEMBL13157175 | 0.61 | — | — | |
| SCHEMBL2920221 | 0.57 | — | — | |
| SCHEMBL330044 | 0.56 | — | — | |
| Water SCHEMBL20425715 | 0.53 | ITGB2 (0.43) | — | |
| SCHEMBL31564570 | 0.53 | — | — | |
| SCHEMBL3397348 | 0.52 | MAOB (0.43) | — | |
| SCHEMBL19056350 | 0.52 | AHR (0.42) | — | |
| SCHEMBL11610766 | 0.51 | — | — |
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-20090014693-A1 | Selenium Containing Electrically Conductive Polymers and Method of Making Electrically Conductive Polymers | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2009-01-15 | — | — | US | disclosed |