⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14261975 | 0.88 | S1PR1 (0.33) | — | |
| SCHEMBL13990834 | 0.73 | TLR4 (0.32) | — | |
| SCHEMBL9425547 | 0.71 | — | — | |
| SCHEMBL13481176 | 0.71 | TSHR (0.52) | — | |
| SCHEMBL26489781 | 0.67 | GABRA1 (0.30) | — | |
| SCHEMBL28382790 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL12269204 | 0.66 | — | — | |
| SCHEMBL14261977 | 0.66 | TAAR1 (0.39) | — | |
| SCHEMBL17779774 | 0.66 | — | — | |
| SCHEMBL2688367 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9059410-B2 | Liquid crystalline organic semiconductor material and organic semiconductor device using same | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2015-06-16 | — | — | US | disclosed |
| US-9059410-B2 | Liquid crystalline organic semiconductor material and organic semiconductor device using same | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2015-06-16 | — | — | US | disclosed |
| US-20080058544-A1 | Liquid crystalline organic semiconductor material and organic semiconductor device using same | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2008-03-06 | — | — | US | disclosed |