⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1030996 | 0.78 | CYP1A2 (0.37) | — | |
| SCHEMBL13640032 | 0.76 | CYP1A2 (0.33) | — | |
| SCHEMBL3545061 | 0.73 | — | — | |
| SCHEMBL31575751 | 0.69 | CYP1A2 (0.33) | — | |
| SCHEMBL11049437 | 0.66 | — | — | |
| SCHEMBL3538657 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL5083323 | 0.65 | CYP1A2 (0.37) | — | |
| SCHEMBL2067553 | 0.65 | CYP1A2 (0.37) | — | |
| SCHEMBL7980378 | 0.65 | CYP1A2 (0.33) | — | |
| SCHEMBL9658057 | 0.65 | CYP1A2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019169798-A1 | COMPOSITION FOR ENZYME-LINKED IMMUNOSORBENT ASSAY KIT, DIABETES ANTIBODY REPERTOIRE DETECTION KIT AND PREPARATION METHOD THEREFOR | 深圳市伯劳特生物制品有限公司 | 2019-09-12 | — | — | WO | disclosed |