⚠ 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 SCHEMBL4523071 | 0.88 | — | — | |
| Acetonitrile SCHEMBL10051948 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1330705 | 0.87 | — | — | |
| Acetonitrile SCHEMBL508545 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1331294 | 0.87 | — | — | |
| Acetonitrile SCHEMBL6693864 | 0.87 | — | — | |
| Acetonitrile SCHEMBL1330624 | 0.87 | — | — | |
| Acetonitrile SCHEMBL10524251 | 0.87 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL2562219 | 0.87 | TSHR (0.36) | — | |
| Acetonitrile SCHEMBL10523138 | 0.87 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20260048132-A1 | IMIDAZOLYL GOLD COMPOUNDS FOR THE TREATMENT OF LUNG CANCER | UNIV CINCINNATI (US) | 2026-02-19 | — | — | US | disclosed |
| CN-116621727-B | Aryl or heteroaryl substituted meta-diamide compound or salt acceptable as pesticide, composition and application thereof | 海利尔药业集团股份有限公司 | 2025-04-18 | — | — | CN | disclosed |
| CN-116621727-A | Aryl or heteroaryl substituted meta-diamide compound or salt acceptable as pesticide, composition and application thereof | 海利尔药业集团股份有限公司 | 2023-08-22 | — | — | CN | disclosed |