⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4435105 | 0.89 | LMNA (0.34) | — | |
| SCHEMBL3723206 | 0.88 | CA12 (0.32) | — | |
| SCHEMBL18544198 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL13372556 | 0.85 | CA12 (0.31) | — | |
| SCHEMBL2831586 | 0.85 | CA12 (0.31) | — | |
| SCHEMBL2491085 | 0.85 | LMNA (0.32) | — | |
| SCHEMBL7202821 | 0.84 | CA12 (0.34) | — | |
| SCHEMBL17750066 | 0.84 | — | — | |
| SCHEMBL2889171 | 0.82 | EPHX1 (0.32) | — | |
| SCHEMBL483471 | 0.82 | EPHX1 (0.37) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116020552-A | Butadiene cyclization trimerization catalyst, preparation method and application thereof | 中国石油化工股份有限公司 | 2023-04-28 | — | — | CN | claimed |
| CN-116020519-A | Method for preparing heterogeneous catalyst, catalyst and application | 中国石油化工股份有限公司 | 2023-04-28 | — | — | CN | claimed |
| CN-116023210-A | Butadiene cyclization polymerization method, catalyst used in method and preparation method | 中国石油化工股份有限公司 | 2023-04-28 | — | — | CN | claimed |
| CN-117776837-A | Cyclization polymerization method, catalyst used in cyclization polymerization method and preparation method | 中国石油化工股份有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-116020552-A | Butadiene cyclization trimerization catalyst, preparation method and application thereof | 中国石油化工股份有限公司 | 2023-04-28 | — | — | CN | disclosed |
| CN-116020519-A | Method for preparing heterogeneous catalyst, catalyst and application | 中国石油化工股份有限公司 | 2023-04-28 | — | — | CN | disclosed |
| CN-116023210-A | Butadiene cyclization polymerization method, catalyst used in method and preparation method | 中国石油化工股份有限公司 | 2023-04-28 | — | — | CN | disclosed |