⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL14698205 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL6487601 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL16267560 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL522737 | 1.00 | — | — | |
| Acetonitrile SCHEMBL9936942 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL4448760 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL15092908 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL16267901 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL15092655 | 1.00 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL89046 | 1.00 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116223702-A | Method for detecting yellow croaker swim bladder by utilizing fingerprint | 青岛海洋生物医药研究院股份有限公司 | 2023-06-06 | — | — | CN | disclosed |
| CN-112213412-A | Method for detecting drug and metabolite thereof in hair | 四川警察学院 | 2021-01-12 | — | — | CN | disclosed |