⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6520596 | 0.87 | MEN1 (0.33) | — | |
| SCHEMBL4408566 | 0.83 | MEN1 (0.32) | — | |
| SCHEMBL4633450 | 0.83 | MEN1 (0.32) | — | |
| SCHEMBL18187468 | 0.77 | — | — | |
| SCHEMBL8162340 | 0.77 | — | — | |
| SCHEMBL9350424 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL9350154 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL5550707 | 0.77 | — | — | |
| SCHEMBL4197821 | 0.77 | — | — | |
| SCHEMBL16314440 | 0.77 | MEN1 (0.31) | — |
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-0484849-B1 | Optically active alcohol, process for producing same and liquid crystal compound using same | MITSUBISHI GAS CHEMICAL CO (JP) | 1994-08-31 | — | — | EP | disclosed |
| US-5264150-A | Fluorinated, ether aromatic ester compounds | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1993-11-23 | — | — | US | disclosed |
| EP-0484849-A1 | Optically active alcohol, process for producing same and liquid crystal compound using same | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 1992-05-13 | — | — | EP | disclosed |