⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL6885291 | 0.93 | — | — | |
| Butadiene SCHEMBL83948 | 0.93 | — | — | |
| SCHEMBL821476 | 0.86 | — | — | |
| SCHEMBL87654 | 0.83 | — | — | |
| SCHEMBL7867045 | 0.81 | MAOB (0.34) | — | |
| Butadiene SCHEMBL8524026 | 0.81 | GPR3 (0.31) | — | |
| SCHEMBL7199057 | 0.78 | — | — | |
| SCHEMBL5969064 | 0.76 | — | — | |
| Butadiene SCHEMBL7127260 | 0.75 | — | — | |
| SCHEMBL4558375 | 0.73 | GPR3 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0889911-B1 | METALLOCENE COCATALYST | DOW CHEMICAL CO (US) | 2000-11-02 | — | — | EP | claimed |
| EP-0977808-B1 | AMORPHOUS PROPYLENE-POLYENE COPOLYMERS AND COMPOSITIONS THEREOF | DOW CHEMICAL CO (US) | 2002-10-16 | — | — | EP | disclosed |
| US-20010007044-A1 | Boratabenzene cocatalyst with metallocene catalyst | DEVORE DAVID D (US) | 2001-07-05 | — | — | US | disclosed |
| US-6255246-B1 | OLEFIN POLYMERIZATION | THE DOW CHEMICAL COMPANY | 2001-07-03 | — | — | US | disclosed |
| US-6166161-A | Incorporation of functionalized comonomers in polyolefins | THE DOW CHEMICAL COMPANY (US) | 2000-12-26 | — | — | US | disclosed |
| US-5986009-A | CRYSTAL AND AMORPHOUS POLYPROPYLENE BLENDS FOR MOLDING AND EXTRUSION MOLDINGS | THE DOW CHEMICAL COMPANY (US) | 1999-11-16 | — | — | US | disclosed |