⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5013668 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL29280125 | 0.87 | — | — | |
| SCHEMBL28363483 | 0.78 | — | — | |
| SCHEMBL11328885 | 0.77 | PTPN1 (0.38) | — | |
| SCHEMBL29259188 | 0.77 | — | — | |
| SCHEMBL29148786 | 0.76 | CES1 (0.32) | — | |
| SCHEMBL473159 | 0.75 | MAOA (0.32) | — | |
| SCHEMBL29280108 | 0.75 | — | — | |
| SCHEMBL29261077 | 0.74 | — | — | |
| SCHEMBL311441 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010144472-A2 | PORPHYRIN AND CONDUCTIVE POLYMER COMPOSITIONS FOR USE IN SOLID-STATE ELECTRONIC DEVICES | PLEXTRONICS, INC. (US) | 2010-12-16 | — | — | WO | disclosed |