⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1565902 | 0.72 | — | — | |
| SCHEMBL7209544 | 0.72 | — | — | |
| SCHEMBL2627863 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3930131 | 0.71 | — | — | |
| SCHEMBL2021457 | 0.69 | CHRM2 (0.40) | — | |
| SCHEMBL18290900 | 0.69 | ATM (0.33) | — | |
| SCHEMBL10930138 | 0.67 | — | — | |
| SCHEMBL4279010 | 0.65 | SLC18A3 (0.35) | — | |
| SCHEMBL8340377 | 0.61 | — | — | |
| SCHEMBL3198076 | 0.61 | — | — |
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-106795117-B | Heterobicyclic compounds and their use for the treatment of tuberculosis | 大塚制药株式会社 | 2020-06-26 | — | — | CN | disclosed |