⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11260092 | 0.81 | — | — | |
| SCHEMBL5711883 | 0.79 | CYP1A2 (0.32) | — | |
| SCHEMBL17867622 | 0.71 | — | — | |
| SCHEMBL29273684 | 0.69 | CYP1A2 (0.32) | — | |
| SCHEMBL9246961 | 0.67 | — | — | |
| SCHEMBL9246963 | 0.67 | — | — | |
| SCHEMBL19339208 | 0.67 | — | — | |
| SCHEMBL9246959 | 0.67 | — | — | |
| SCHEMBL19339392 | 0.67 | — | — | |
| SCHEMBL9255980 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-9157202-A | — | — | None | — | — | JP | disclosed |
| JP-H09157202-A | ALKENYL COMPOUND HAVING OXYGEN ATOM-CONTAINING BINDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | CHISSO CORP | 1997-06-17 | — | — | JP | disclosed |