⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL527585 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL27566342 | 0.88 | — | — | |
| SCHEMBL2802982 | 0.88 | — | — | |
| SCHEMBL28400331 | 0.74 | — | — | |
| SCHEMBL10782194 | 0.72 | — | — | |
| Fluoride SCHEMBL28181967 | 0.69 | TSHR (0.50) | — | |
| SCHEMBL28582032 | 0.69 | TSHR (0.50) | — | |
| SCHEMBL681730 | 0.69 | — | — | |
| SCHEMBL3967959 | 0.69 | — | — | |
| SCHEMBL3300416 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106398388-A | Highlight printing ink | 绍兴百嘉汽车电子仪表有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-106398391-A | Matt printing ink | 绍兴百嘉汽车电子仪表有限公司 | 2017-02-15 | — | — | CN | disclosed |