⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9340831 | 1.00 | — | — | |
| SCHEMBL9687270 | 0.86 | ALDH1A1 (0.41) | — | |
| SCHEMBL9688942 | 0.85 | DNM1 (0.48) | — | |
| SCHEMBL9345466 | 0.83 | DNM1 (0.52) | — | |
| SCHEMBL9405821 | 0.83 | DNM1 (0.52) | — | |
| SCHEMBL9345472 | 0.83 | DNM1 (0.52) | — | |
| SCHEMBL5162959 | 0.83 | DNM1 (0.52) | — | |
| SCHEMBL9688338 | 0.83 | DNM1 (0.52) | — | |
| SCHEMBL9687227 | 0.83 | DNM1 (0.52) | — | |
| SCHEMBL9405709 | 0.83 | DNM1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5324451-A | Excellent response and memory | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1994-06-28 | — | — | US | disclosed |
| EP-0329153-B1 | NOVEL LACTIC ACID DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1992-10-21 | — | — | EP | disclosed |
| EP-0329153-A2 | Novel lactic acid derivatives and liquid crystal compositions containing the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 1989-08-23 | — | — | EP | disclosed |