⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1680268 | 0.76 | — | — | |
| SCHEMBL4865545 | 0.76 | — | — | |
| SCHEMBL9778142 | 0.73 | — | — | |
| SCHEMBL7193836 | 0.73 | — | — | |
| SCHEMBL562508 | 0.69 | — | — | |
| SCHEMBL7597320 | 0.66 | TDP1 (0.50) | — | |
| SCHEMBL8462944 | 0.65 | — | — | |
| SCHEMBL2116466 | 0.62 | — | — | |
| SCHEMBL11412895 | 0.62 | TDP1 (0.44) | — | |
| SCHEMBL29105526 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117645552-A | Butanedione ligand compound and metal complex thereof, metal catalyst composition and application thereof | 合肥中科科乐新材料有限责任公司 | 2024-03-05 | — | — | CN | claimed |
| CN-117645552-A | Butanedione ligand compound and metal complex thereof, metal catalyst composition and application thereof | 合肥中科科乐新材料有限责任公司 | 2024-03-05 | — | — | CN | disclosed |
| US-5492986-A | CATALYSIS WITH VANADIUM ACETYLACETONATE, SUPPORT, COCATALYST OF TRIALKYLALUMINUM HALIDE AND HALOCARBON PROMOTER | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1996-02-20 | — | — | US | disclosed |
| US-5410003-A | Strain hardening properties; elastomeric copolymers; using modified supported vanadium based catalyst with alkylaluminum halide cocatalyst and promoter | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1995-04-25 | — | — | US | disclosed |