⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18843129 | 0.95 | HTT (0.32) | — | |
| SCHEMBL18843155 | 0.91 | HTR6 (0.31) | — | |
| SCHEMBL18849773 | 0.87 | — | — | |
| SCHEMBL18843135 | 0.87 | HTT (0.31) | — | |
| SCHEMBL18843132 | 0.87 | MAPT (0.32) | — | |
| SCHEMBL18843122 | 0.86 | LOXL2 (0.34) | — | |
| SCHEMBL18843106 | 0.85 | MAOA (0.30) | — | |
| SCHEMBL18843125 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL18843141 | 0.83 | POLB (0.30) | — | |
| SCHEMBL18843168 | 0.81 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170133605-A1 | TETRACENOTHIOPHENE DERIVATIVES WITH ALKOXY-C-ALKYNE SOLUBILISING UNITS AND THEIR APPLICATIONS AS ORGANIC SEMICONDUCTORS | CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) | 2017-05-11 | — | — | US | disclosed |