⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL29074817 | 0.97 | ALDH1A1 (0.46) | — | |
| SCHEMBL945751 | 0.94 | ALDH1A1 (0.48) | — | |
| SCHEMBL10747645 | 0.91 | LMNA (0.52) | — | |
| SCHEMBL10747973 | 0.88 | LMNA (0.56) | — | |
| SCHEMBL8774735 | 0.88 | LMNA (0.56) | — | |
| SCHEMBL80340 | 0.88 | — | — | |
| SCHEMBL10745470 | 0.88 | LMNA (0.56) | — | |
| SCHEMBL31406509 | 0.88 | — | — | |
| SCHEMBL23422094 | 0.86 | LMNA (0.54) | — | |
| SCHEMBL1975649 | 0.86 | ALDH1A1 (0.42) | — |
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-4147586-A | Cellulosic paper containing the reaction product of a dihaloalkane alkylene diamine adduct and epihalohydrin | MONSANTO COMPANY (US) | 1979-04-03 | — | — | US | disclosed |