⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31598470 | 0.77 | ESR1 (0.34) | — | |
| SCHEMBL3994162 | 0.71 | ESR1 (0.37) | — | |
| SCHEMBL28355421 | 0.70 | ESR1 (0.35) | — | |
| SCHEMBL27648787 | 0.67 | CA4 (0.31) | — | |
| SCHEMBL1314611 | 0.65 | NOS1 (0.36) | — | |
| SCHEMBL76000 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL38744 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL9763697 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL197123 | 0.64 | TSHR (0.39) | — | |
| SCHEMBL9979264 | 0.64 | TSHR (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120058812-A | Double-active-center metallocene complex and preparation method and application thereof | 万华化学集团股份有限公司 | 2025-05-30 | — | — | CN | claimed |
| CN-120058812-A | Double-active-center metallocene complex and preparation method and application thereof | 万华化学集团股份有限公司 | 2025-05-30 | — | — | CN | disclosed |
| CN-116589613-B | Preparation method of single-metallocene titanium catalyst and application of single-metallocene titanium catalyst in olefin polymerization | 广州方中化工有限公司 | 2025-05-06 | — | — | CN | disclosed |
| CN-118047817-A | Biphenyl bridged dual-active-center metallocene complex and preparation method and application thereof | 万华化学集团股份有限公司 | 2024-05-17 | — | — | CN | disclosed |
| CN-116854856-A | Preparation method of norbornene, long-chain olefin and methyl acrylate ternary polymerization under single-metallocene titanium catalyst | 广州方中化工有限公司 | 2023-10-10 | — | — | CN | disclosed |
| CN-116589613-A | Preparation method of single-metallocene titanium catalyst and application of single-metallocene titanium catalyst in olefin polymerization | 广州方中化工有限公司 | 2023-08-15 | — | — | CN | disclosed |