⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10001801 | 0.88 | HSD17B1 (0.37) | — | |
| SCHEMBL10001802 | 0.81 | NQO2 (0.33) | — | |
| SCHEMBL14542579 | 0.79 | HSD17B1 (0.33) | — | |
| SCHEMBL12574380 | 0.73 | HSD17B1 (0.42) | — | |
| SCHEMBL13981567 | 0.71 | CYP1A1 (0.30) | — | |
| SCHEMBL13981565 | 0.70 | CYP1A1 (0.30) | — | |
| SCHEMBL12156709 | 0.69 | — | — | |
| SCHEMBL10071935 | 0.69 | ALOX5 (0.41) | — | |
| SCHEMBL12557520 | 0.69 | HSD17B1 (0.39) | — | |
| SCHEMBL21763385 | 0.69 | PRF1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2390249-A2 | NOVEL CYCLOALKENE DERIVATIVES AND ORGANIC ELECTRONIC DEVICES USING THE SAME | LG Chem, Ltd. (KR) | 2011-11-30 | — | — | EP | disclosed |