⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1919608 | 0.80 | — | — | |
| SCHEMBL15321448 | 0.79 | — | — | |
| SCHEMBL14697317 | 0.78 | — | — | |
| SCHEMBL9691772 | 0.63 | — | — | |
| SCHEMBL6233876 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL7013830 | 0.62 | — | — | |
| SCHEMBL28925223 | 0.60 | — | — | |
| SCHEMBL5569849 | 0.59 | — | — | |
| SCHEMBL29114759 | 0.59 | — | — | |
| SCHEMBL4308101 | 0.59 | — | — |
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-111675654-A | Method for synthesizing tetrahydroquinoline compound by taking inert cyclopropane as raw material | 南开大学 | 2020-09-18 | — | — | CN | disclosed |