⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16314374 | 0.73 | IDO1 (0.33) | — | |
| SCHEMBL11033478 | 0.68 | — | — | |
| SCHEMBL867585 | 0.65 | LMNA (0.46) | — | |
| SCHEMBL15290583 | 0.63 | HPGD (0.33) | — | |
| SCHEMBL15458176 | 0.63 | S100A4 (0.35) | — | |
| SCHEMBL19413579 | 0.63 | KDM4E (0.31) | — | |
| SCHEMBL15542936 | 0.63 | LMNA (0.44) | — | |
| SCHEMBL15478717 | 0.63 | TRPA1 (0.37) | — | |
| SCHEMBL23430303 | 0.62 | PKM (0.36) | — | |
| SCHEMBL10328737 | 0.62 | NOS2 (0.37) | — |
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-2016143823-A1 | COMPOUND, AND ORGANIC SEMICONDUCTOR MATERIAL CONTAINING SAME | 国立大学法人大阪大学 | 2016-09-15 | — | — | WO | disclosed |