⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9405651 | 1.00 | — | — | |
| SCHEMBL8542664 | 1.00 | — | — | |
| SCHEMBL4971007 | 1.00 | — | — | |
| SCHEMBL5176538 | 0.79 | — | — | |
| SCHEMBL11457161 | 0.79 | — | — | |
| SCHEMBL9398099 | 0.79 | — | — | |
| SCHEMBL50644 | 0.79 | — | — | |
| SCHEMBL10624091 | 0.79 | — | — | |
| SCHEMBL3646862 | 0.79 | — | — | |
| SCHEMBL29112983 | 0.77 | ALDH1A1 (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-0402110-B1 | Optical active compounds and liquid crystal compositions containing such compounds | WAKO PURE CHEM IND LTD (JP) | 1994-12-14 | — | — | EP | disclosed |
| US-5128062-A | OPTICALLY ACTIVE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SUCH COMPOUNDS | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 1992-07-07 | — | — | US | disclosed |
| EP-0402110-A1 | Optical active compounds and liquid crystal compositions containing such compounds | WAKO PURE CHEMICAL INDUSTRIES LTD (JP) | 1990-12-12 | — | — | EP | disclosed |