⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL27920210 | 0.77 | KDM4E (0.30) | — | |
| Butane SCHEMBL27875905 | 0.75 | — | — | |
| SCHEMBL20359759 | 0.73 | — | — | |
| Bromoethane SCHEMBL1977825 | 0.72 | ALDH1A1 (0.35) | — | |
| Alcohol SCHEMBL15105323 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL28235874 | 0.72 | — | — | |
| Methoxymethane SCHEMBL649174 | 0.72 | — | — | |
| SCHEMBL5134044 | 0.71 | — | — | |
| Ethane SCHEMBL5851586 | 0.71 | — | — | |
| SCHEMBL6065835 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109206547-A | A kind of external electron donor of the catalyst for polymerization of propylene of Ziegler-Natta type and catalyst comprising it | 中国石化扬子石油化工有限公司 | 2019-01-15 | — | — | CN | claimed |
| CN-109206547-B | External electron donor of Ziegler-Natta type propylene polymerization catalyst and catalyst containing same | 中国石化扬子石油化工有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-109206547-A | A kind of external electron donor of the catalyst for polymerization of propylene of Ziegler-Natta type and catalyst comprising it | 中国石化扬子石油化工有限公司 | 2019-01-15 | — | — | CN | disclosed |