⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL49670 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL2253837 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1032031 | 0.89 | — | — | |
| Ethane SCHEMBL28745950 | 0.89 | — | — | |
| SCHEMBL10684602 | 0.89 | — | — | |
| Propane SCHEMBL23701103 | 0.89 | — | — | |
| Bromide SCHEMBL5819633 | 0.89 | — | — | |
| SCHEMBL8894844 | 0.89 | — | — | |
| SCHEMBL21357940 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL5923703 | 0.89 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5089648-A | Using tetrakis/triethylphosphine/nickel polymerization catalyst | ETHYL CORPORATION (US) | 1992-02-18 | — | — | US | disclosed |