⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30608466 | 0.67 | GSK3A (0.43) | — | |
| SCHEMBL30608468 | 0.67 | GSK3A (0.43) | — | |
| SCHEMBL4827962 | 0.65 | PYGM (0.43) | — | |
| SCHEMBL4649977 | 0.65 | PYGM (0.35) | — | |
| Hydrochloric Acid SCHEMBL17597299 | 0.64 | PYGM (0.34) | — | |
| Propionic Acid SCHEMBL6697023 | 0.63 | FFAR3 (0.40) | — | |
| SCHEMBL934175 | 0.62 | PYGM (0.32) | — | |
| SCHEMBL28606509 | 0.61 | — | — | |
| SCHEMBL7568266 | 0.61 | — | — | |
| SCHEMBL818160 | 0.60 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112978709-A | Carbon quantum dot precursor composition, carbon quantum dot and preparation method thereof | 中国科学院大连化学物理研究所 | 2021-06-18 | — | — | CN | disclosed |