⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11933141 | 0.92 | CTSL (0.31) | — | |
| SCHEMBL11933131 | 0.92 | CTSL (0.31) | — | |
| SCHEMBL11933410 | 0.90 | CTSL (0.32) | — | |
| SCHEMBL12196658 | 0.90 | ELANE (0.30) | — | |
| SCHEMBL11933415 | 0.89 | — | — | |
| SCHEMBL12196617 | 0.88 | — | — | |
| SCHEMBL12196639 | 0.88 | — | — | |
| SCHEMBL15381657 | 0.88 | — | — | |
| SCHEMBL15381554 | 0.88 | — | — | |
| SCHEMBL11933414 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2479162-B1 | LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC CORP (JP) | 2016-10-26 | — | — | EP | disclosed |