⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4901795 | 0.95 | TSHR (0.50) | — | |
| SCHEMBL5606390 | 0.95 | — | — | |
| SCHEMBL10862 | 0.95 | — | — | |
| SCHEMBL4950820 | 0.95 | TSHR (0.50) | — | |
| SCHEMBL2430668 | 0.95 | TSHR (0.50) | — | |
| SCHEMBL3814841 | 0.95 | — | — | |
| SCHEMBL9419517 | 0.90 | — | — | |
| Ethane SCHEMBL10985852 | 0.90 | — | — | |
| SCHEMBL4443514 | 0.90 | — | — | |
| SCHEMBL11303058 | 0.90 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12384735-B2 | Manufacturing method of butadiene | CHIYODA CORPORATION (JP) | 2025-08-12 | — | — | US | disclosed |
| CN-221789223-U | Isothermal reaction system for preparing butadiene by oxidative dehydrogenation of butene | 惠生工程（中国）有限公司 | 2024-10-01 | — | — | CN | disclosed |
| US-20240158321-A1 | MANUFACTURING METHOD OF BUTADIENE | CHIYODA CORPORATION (JP) | 2024-05-16 | — | — | US | disclosed |
| CN-117567230-A | Isothermal reaction method for preparing butadiene by oxidative dehydrogenation of butene | 惠生工程（中国）有限公司 | 2024-02-20 | — | — | CN | disclosed |