⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL155485 | 0.97 | — | — | |
| SCHEMBL28110716 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL28110714 | 0.95 | — | — | |
| SCHEMBL27627625 | 0.95 | — | — | |
| Benzene SCHEMBL27616214 | 0.92 | GPR84 (0.37) | — | |
| SCHEMBL11546189 | 0.90 | GPR84 (0.35) | — | |
| Methylene Chloride SCHEMBL28307102 | 0.90 | GPR84 (0.35) | — | |
| Glycolic Acid SCHEMBL28094374 | 0.88 | OR51E2 (0.39) | — | |
| Decane SCHEMBL28043272 | 0.86 | GPR84 (0.57) | — | |
| SCHEMBL27694877 | 0.86 | GPR84 (0.33) | — |
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-106423535-A | Magnetic flotation combined beneficiation process for separating copper and lead sulphide ores | 湖南有色金属研究院 | 2017-02-22 | — | — | CN | disclosed |