⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21446081 | 0.85 | CYP2D6 (0.31) | — | |
| SCHEMBL19558042 | 0.76 | LIPA (0.30) | — | |
| SCHEMBL17704662 | 0.74 | — | — | |
| SCHEMBL9782962 | 0.74 | CYP2D6 (0.31) | — | |
| SCHEMBL17902826 | 0.73 | — | — | |
| SCHEMBL15976379 | 0.66 | — | — | |
| SCHEMBL16744097 | 0.65 | CA1 (0.43) | — | |
| SCHEMBL21350163 | 0.63 | TRPA1 (0.32) | — | |
| SCHEMBL5247885 | 0.63 | TRPA1 (0.32) | — | |
| SCHEMBL16191100 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11655371-B2 | Color material dispersion liquid, color resin composition, color filter, liquid crystal display device, and light-emitting display device | DAI NIPPON PRINTING CO., LTD. (JP) | 2023-05-23 | — | — | US | disclosed |