⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12924392 | 0.88 | SOAT1 (0.31) | — | |
| SCHEMBL12924364 | 0.79 | — | — | |
| SCHEMBL12924356 | 0.78 | — | — | |
| SCHEMBL12924312 | 0.76 | RARB (0.39) | — | |
| SCHEMBL12924296 | 0.76 | RARB (0.39) | — | |
| SCHEMBL12924407 | 0.72 | HPGD (0.30) | — | |
| SCHEMBL12924369 | 0.70 | RARB (0.36) | — | |
| SCHEMBL12924291 | 0.70 | MAPK14 (0.30) | — | |
| SCHEMBL12924387 | 0.69 | — | — | |
| SCHEMBL12924360 | 0.68 | LMNA (0.33) | — |
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-8294144-B2 | Organic transistor | YAMAMOTO CHEMICALS, INC. (JP) | 2012-10-23 | — | — | US | disclosed |
| US-20110012098-A1 | ORGANIC TRANSISTOR | YAMAMOTO CHEMICALS, INC. (JP) | 2011-01-20 | — | — | US | disclosed |