⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12887163 | 0.97 | — | — | |
| SCHEMBL12610499 | 0.89 | — | — | |
| SCHEMBL12886986 | 0.89 | — | — | |
| SCHEMBL12886992 | 0.89 | — | — | |
| SCHEMBL12887001 | 0.85 | — | — | |
| SCHEMBL12887164 | 0.84 | — | — | |
| SCHEMBL12887130 | 0.82 | — | — | |
| SCHEMBL12610452 | 0.82 | — | — | |
| SCHEMBL12887157 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL15724626 | 0.79 | MEN1 (0.30) | — |
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-8558108-B2 | Electron donating material, material for photovoltaic devices and photovoltaic device | TORAY INDUSTRIES, INC. (JP) | 2013-10-15 | — | — | US | disclosed |