⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27747906 | 0.85 | — | — | |
| Ethylene Glycol SCHEMBL28257525 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL486810 | 0.78 | HSD17B10 (0.32) | — | |
| Ethylene Glycol SCHEMBL4902379 | 0.72 | — | — | |
| SCHEMBL27909475 | 0.71 | MEN1 (0.48) | — | |
| SCHEMBL29272740 | 0.71 | — | — | |
| SCHEMBL2356343 | 0.68 | MEN1 (0.33) | — | |
| Fluoride SCHEMBL17674224 | 0.67 | — | — | |
| SCHEMBL15227234 | 0.66 | — | — | |
| Guanidine SCHEMBL1317561 | 0.65 | — | — |
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-109082280-A | A kind of preparation method of liquid crystal material | 宁夏中星显示材料有限公司 | 2018-12-25 | — | — | CN | disclosed |