⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11582266 | 0.82 | — | — | |
| SCHEMBL8941731 | 0.80 | — | — | |
| SCHEMBL8355826 | 0.80 | — | — | |
| SCHEMBL11803555 | 0.80 | CYP2C19 (0.32) | — | |
| SCHEMBL14533358 | 0.78 | CYP2C19 (0.31) | — | |
| SCHEMBL21065655 | 0.78 | — | — | |
| SCHEMBL3874789 | 0.77 | — | — | |
| SCHEMBL28158992 | 0.76 | — | — | |
| SCHEMBL17965483 | 0.74 | — | — | |
| SCHEMBL21065653 | 0.74 | HSD11B1 (0.34) | — |
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-107308147-A | Application of the aminomethylbenzoic acid composition in treatment tuberculosis | 新乡医学院第附属医院 | 2017-11-03 | — | — | CN | disclosed |