⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8060339 | 0.69 | NFKB1 (0.36) | — | |
| Fluoride SCHEMBL7489522 | 0.68 | CYP1A2 (0.33) | — | |
| SCHEMBL540364 | 0.62 | NFKB1 (0.35) | — | |
| SCHEMBL8167472 | 0.62 | — | — | |
| SCHEMBL1268157 | 0.61 | CYP2B6 (0.35) | — | |
| SCHEMBL21490423 | 0.61 | CYP2B6 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8473908 | 0.61 | NFKB1 (0.33) | — | |
| SCHEMBL14940773 | 0.59 | KDM4E (0.41) | — | |
| SCHEMBL23295465 | 0.59 | — | — | |
| SCHEMBL23295469 | 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-109666950-A | method for electrochemically synthesizing tetrazole compound | 浙江工业大学 | 2019-04-23 | — | — | CN | disclosed |