⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12610363 | 0.95 | — | — | |
| SCHEMBL15502144 | 0.92 | — | — | |
| SCHEMBL12982760 | 0.90 | — | — | |
| SCHEMBL12887016 | 0.89 | — | — | |
| SCHEMBL11928950 | 0.88 | — | — | |
| SCHEMBL12610331 | 0.88 | — | — | |
| SCHEMBL12887038 | 0.88 | — | — | |
| SCHEMBL12026070 | 0.87 | — | — | |
| SCHEMBL12611521 | 0.87 | — | — | |
| SCHEMBL13114505 | 0.87 | — | — |
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-8558108-B2 | Electron donating material, material for photovoltaic devices and photovoltaic device | TORAY INDUSTRIES, INC. (JP) | 2013-10-15 | — | — | US | disclosed |
| US-20110023964-A1 | ELECTRON DONATING MATERIAL, MATERIAL FOR PHOTOVOLTAIC DEVICES AND PHOTOVOLTAIC DEVICE | TORAY INDUSTRIES, INC. (JP) | 2011-02-03 | — | — | US | disclosed |