⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45165 | 0.97 | — | — | |
| SCHEMBL29180593 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11213722 | 0.93 | — | — | |
| SCHEMBL28325056 | 0.93 | — | — | |
| SCHEMBL28001442 | 0.93 | — | — | |
| Methyl Alcohol SCHEMBL3561710 | 0.90 | — | — | |
| Methylene Chloride SCHEMBL9525414 | 0.90 | SLC22A6 (0.45) | — | |
| Acetic Acid SCHEMBL7385741 | 0.88 | SLC22A6 (0.43) | — | |
| Acetic Acid SCHEMBL6936183 | 0.88 | SLC22A6 (0.43) | — | |
| Ethylene Glycol SCHEMBL27751387 | 0.88 | SLC22A6 (0.43) | — |
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-1123579-C | Vanadium catalysts, their preparation and their use in the (co) polymerization of alpha-olefins | ENICHEM SPA (IT) | 2003-10-08 | — | — | CN | disclosed |