⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9861797 | 0.92 | CA1 (0.40) | — | |
| SCHEMBL9861083 | 0.90 | CA1 (0.42) | — | |
| SCHEMBL9861749 | 0.90 | CA1 (0.42) | — | |
| SCHEMBL27765109 | 0.88 | CA1 (0.41) | — | |
| SCHEMBL28258506 | 0.85 | RECQL (0.33) | — | |
| SCHEMBL9861072 | 0.83 | — | — | |
| SCHEMBL2035299 | 0.83 | CA1 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL10892524 | 0.81 | CA1 (0.48) | — | |
| SCHEMBL710961 | 0.81 | — | — | |
| Water SCHEMBL4798302 | 0.81 | CA1 (0.48) | — |
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-109694704-A | Particle and preparation method thereof and QLED device | TCL集团股份有限公司 | 2019-04-30 | — | — | CN | claimed |
| CN-109694704-A | Particle and preparation method thereof and QLED device | TCL集团股份有限公司 | 2019-04-30 | — | — | CN | disclosed |