⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8050631 | 1.00 | — | — | |
| SCHEMBL731193 | 0.84 | ALDH1A1 (0.43) | — | |
| SCHEMBL731194 | 0.84 | ALDH1A1 (0.43) | — | |
| SCHEMBL28977016 | 0.81 | TSHR (0.52) | — | |
| SCHEMBL23198741 | 0.79 | TSHR (0.56) | — | |
| SCHEMBL8152787 | 0.79 | TSHR (0.56) | — | |
| SCHEMBL14882352 | 0.79 | TSHR (0.56) | — | |
| SCHEMBL8152789 | 0.79 | TSHR (0.56) | — | |
| SCHEMBL23198742 | 0.79 | TSHR (0.56) | — | |
| SCHEMBL14882350 | 0.79 | TSHR (0.56) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117756635-A | Ester compound and preparation method and application thereof, and preparation method of (E, E, Z) -2,4, 6-methyltrienoic acid methyl ester | 昆明博鸿科技有限公司 | 2024-03-26 | — | — | CN | disclosed |
| CN-108350117-A | Siloxanyl monomers and its polymer, the composition containing the polymer, electronic component | DIC株式会社 | 2018-07-31 | — | — | CN | disclosed |
| EP-0858474-B1 | LIQUID CRYSTAL POLYMERS | SECR DEFENCE (GB) | 2000-04-26 | — | — | EP | disclosed |
| US-6030668-A | CYCLIC POLYMERS OF GIVEN FORMULA MADE FROM SUBSTITUTED DIENES HAVING MESOGENIC GROUPS FOR USE IN LIQUID CRYSTAL DEVICES, PIEZOELECTRIC DEVICES, PYROELECTRIC DEVICES AND OPTICAL RECORDING MEDIA | THE SECRETARY OF STATE FOR DEFENCE, IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) | 2000-02-29 | — | — | US | disclosed |
| EP-0858474-A1 | LIQUID CRYSTAL POLYMERS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997016472-A1 | LIQUID CRYSTAL POLYMERS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 1997-05-09 | — | — | WO | disclosed |