⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL215025 | 0.95 | — | — | |
| Methane SCHEMBL28174414 | 0.91 | — | — | |
| Iodide SCHEMBL19118626 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL2278008 | 0.91 | — | — | |
| Bromide SCHEMBL11720833 | 0.91 | — | — | |
| Hydrogen Sulfide SCHEMBL28251287 | 0.91 | — | — | |
| Hydrazine SCHEMBL28854390 | 0.84 | LMNA (0.33) | — | |
| SCHEMBL19119012 | 0.84 | — | — | |
| Boric Acid SCHEMBL19118376 | 0.84 | LMNA (0.31) | — | |
| Bicarbonate SCHEMBL19118378 | 0.81 | CYP1A2 (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-106753675-A | A kind of fuel of energy-conserving and environment-protective and preparation method thereof | 天津飞捷科技有限公司 | 2017-05-31 | — | — | CN | disclosed |