⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL466767 | 0.92 | — | — | |
| Ethane SCHEMBL9715551 | 0.92 | — | — | |
| SCHEMBL27764558 | 0.92 | — | — | |
| SCHEMBL16176 | 0.92 | — | — | |
| SCHEMBL7050405 | 0.92 | — | — | |
| Fluoromethane SCHEMBL9525966 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL8345038 | 0.90 | — | — | |
| Ethane SCHEMBL10977116 | 0.90 | — | — | |
| Methane SCHEMBL336747 | 0.89 | — | — | |
| SCHEMBL8084417 | 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 |
|---|---|---|---|---|---|---|---|
| CN-1130912-A | Supported metallocene catalyst systems for polymerization of olefins, preparation and use thereof | EXXON CHEMICAL PATENTS INC (US) | 1996-09-11 | — | — | CN | disclosed |