⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11345688 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL5331350 | 0.80 | PLG (0.37) | — | |
| SCHEMBL5331343 | 0.80 | PLG (0.37) | — | |
| SCHEMBL10148202 | 0.79 | — | — | |
| SCHEMBL12425834 | 0.79 | — | — | |
| SCHEMBL3147397 | 0.79 | — | — | |
| SCHEMBL3147401 | 0.79 | — | — | |
| SCHEMBL10290719 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8774217 | 0.77 | LMNA (0.38) | — | |
| SCHEMBL4208454 | 0.77 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0496896-B1 | CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | KANTO KAGAKU (JP) | 1997-11-05 | — | — | EP | disclosed |
| US-5545747-A | STABLE FERROELECTRIC LIQUID CRYSTALLINE COMPOUNDS | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1996-08-13 | — | — | US | disclosed |
| EP-0496896-A1 | CYCLOBUTANECARBOXYLIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | KANTO KAGAKU KABUSHIKI KAISHA (JP) | 1992-08-05 | — | — | EP | disclosed |
| US-4220795-A | MODIFIERS OF SMOOTH MUSCLE ACTIVITY, PLATELET ANTIAGGREGATING AGENTS, GASTRIC ANTISCRETORY AGENTS, BRONCHODILATORS | MILES LABORATORIES, INC. (US) | 1980-09-02 | — | — | US | disclosed |