⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9138136 | 0.87 | HSD11B1 (0.32) | — | |
| SCHEMBL144693 | 0.67 | AKR1B1 (0.33) | — | |
| Water SCHEMBL8154773 | 0.66 | AKR1B1 (0.33) | — | |
| SCHEMBL22697312 | 0.66 | CYP2C19 (0.31) | — | |
| SCHEMBL9418860 | 0.65 | — | — | |
| SCHEMBL9418861 | 0.65 | HSD11B1 (0.30) | — | |
| SCHEMBL5067143 | 0.64 | — | — | |
| SCHEMBL23998056 | 0.62 | AKR1B1 (0.33) | — | |
| SCHEMBL3211235 | 0.62 | KDM4E (0.33) | — | |
| SCHEMBL9453821 | 0.61 | ALDH1A1 (0.36) | — |
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-2803672-A1 | LIQUID CRYSTAL ALIGNING AGENT | Wako Pure Chemical Industries, Ltd. (JP) | 2014-11-19 | — | — | EP | disclosed |