⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2713684 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27569680 | 0.82 | — | — | |
| Benzene SCHEMBL27738122 | 0.72 | — | — | |
| SCHEMBL28063369 | 0.70 | DPP4 (0.31) | — | |
| SCHEMBL15506099 | 0.70 | — | — | |
| Cyclopropane SCHEMBL4175957 | 0.66 | — | — | |
| Cyclopentane SCHEMBL1833461 | 0.66 | — | — | |
| Cyclooctane SCHEMBL7916174 | 0.66 | ADH1C (0.30) | — | |
| Cyclohexane SCHEMBL1617160 | 0.66 | ADH1C (0.30) | — | |
| Trimethylammonium SCHEMBL237388 | 0.66 | ADH1C (0.30) | — |
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-105636439-A | Herbicidal compounds | SYNGENTA PARTICIPATIONS AG | 2016-06-01 | — | — | CN | disclosed |