⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2984846 | 0.97 | — | — | |
| SCHEMBL1301987 | 0.97 | — | — | |
| SCHEMBL19125432 | 0.97 | — | — | |
| SCHEMBL2984843 | 0.97 | — | — | |
| SCHEMBL1302022 | 0.97 | — | — | |
| SCHEMBL1301102 | 0.97 | — | — | |
| SCHEMBL1301003 | 0.97 | — | — | |
| SCHEMBL24401 | 0.97 | — | — | |
| Isopropyl Alcohol SCHEMBL7164861 | 0.94 | LMNA (0.46) | — | |
| Isopropyl Alcohol SCHEMBL7121157 | 0.88 | LMNA (0.48) | — |
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-2019078534-A2 | LIQUID CRYSTAL ALIGNMENT AGENT COMPOSITION, METHOD FOR PRODUCING LIQUID CRYSTAL ALIGNMENT FILM USING SAME, AND LIQUID CRYSTAL ALIGNMENT FILM USING SAME | 주식회사 엘지화학 | 2019-04-25 | — | — | WO | disclosed |