⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10022127 | 0.84 | — | — | |
| SCHEMBL10021990 | 0.82 | — | — | |
| SCHEMBL10022134 | 0.79 | — | — | |
| SCHEMBL10022130 | 0.78 | — | — | |
| SCHEMBL15220794 | 0.76 | KDM1A (0.32) | — | |
| SCHEMBL10022115 | 0.76 | — | — | |
| SCHEMBL10022135 | 0.75 | — | — | |
| SCHEMBL10022114 | 0.72 | — | — | |
| SCHEMBL10021995 | 0.72 | — | — | |
| SCHEMBL10022050 | 0.71 | BRD4 (0.33) | — |
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-2012053421-A1 | CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC株式会社 (JP) | 2012-04-26 | — | — | WO | disclosed |