⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL112173 | 0.78 | — | — | |
| SCHEMBL11554857 | 0.78 | — | — | |
| SCHEMBL1322720 | 0.76 | HSD17B10 (0.50) | — | |
| SCHEMBL8779383 | 0.72 | HSD17B10 (0.33) | — | |
| SCHEMBL10025691 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL7261673 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL18947455 | 0.71 | CA2 (0.30) | — | |
| SCHEMBL24321872 | 0.69 | HSD17B10 (0.41) | — | |
| SCHEMBL27904915 | 0.67 | — | — | |
| SCHEMBL610636 | 0.67 | TET2 (0.38) | — |
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-114914536-A | Electrolyte for lithium battery, and method for improving performance of high-temperature lithium battery | 中国科学院物理研究所 | 2022-08-16 | — | — | CN | disclosed |