⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL263524 | 0.81 | — | — | |
| SCHEMBL8706020 | 0.69 | — | — | |
| SCHEMBL2808024 | 0.67 | — | — | |
| SCHEMBL4771523 | 0.67 | — | — | |
| SCHEMBL644103 | 0.67 | — | — | |
| SCHEMBL6852 | 0.67 | — | — | |
| SCHEMBL2076324 | 0.62 | — | — | |
| SCHEMBL15958455 | 0.60 | — | — | |
| SCHEMBL6413 | 0.53 | — | — | |
| SCHEMBL191208 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10711075-B2 | Method of preparing rubber composition including syndiotactic 1,2-polybutadiene | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2020-07-14 | — | — | US | disclosed |
| US-20190023815-A1 | METHOD OF PREPARING RUBBER COMPOSITION INCLUDING SYNDIOTACTIC 1,2-POLYBUTADIENE | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2019-01-24 | — | — | US | disclosed |
| US-5026884-A | Forming isolable carbon-carbon bond with reducing agent and Lewis acid | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1991-06-25 | — | — | US | disclosed |