⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21017213 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL1148823 | 0.73 | CETP (0.33) | — | |
| SCHEMBL703628 | 0.67 | — | — | |
| SCHEMBL21016825 | 0.65 | — | — | |
| SCHEMBL1425953 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL31038764 | 0.63 | — | — | |
| SCHEMBL8601511 | 0.62 | — | — | |
| SCHEMBL6118514 | 0.62 | — | — | |
| SCHEMBL1980637 | 0.60 | TSHR (0.38) | — | |
| SCHEMBL9124757 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0592669-B1 | OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORP (JP) | 1998-01-28 | — | — | EP | disclosed |
| US-5665270-A | Optically active trifluorolactic acid derivative and liquid crystal composition | CHISSO CORPORATION (JP) | 1997-09-09 | — | — | US | disclosed |
| EP-0592669-A1 | OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION | CHISSO CORPORATION (JP) | 1994-04-20 | — | — | EP | disclosed |