⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14960833 | 0.86 | SLC6A2 (0.33) | — | |
| SCHEMBL14961126 | 0.72 | NAAA (0.33) | — | |
| SCHEMBL14960810 | 0.71 | SLC6A2 (0.33) | — | |
| SCHEMBL12238352 | 0.69 | TYR (0.42) | — | |
| SCHEMBL14960796 | 0.69 | SLC6A2 (0.33) | — | |
| SCHEMBL10021064 | 0.69 | KDM1A (0.32) | — | |
| SCHEMBL16130714 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL14961109 | 0.68 | — | — | |
| SCHEMBL14961133 | 0.68 | FFAR4 (0.31) | — | |
| SCHEMBL16130649 | 0.68 | — | — |
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-2012020643-A1 | COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC株式会社 (JP) | 2012-02-16 | — | — | WO | disclosed |