⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29199652 | 0.58 | — | — | |
| SCHEMBL30667090 | 0.57 | PTGS2 (0.39) | — | |
| SCHEMBL8904415 | 0.57 | — | — | |
| SCHEMBL7002117 | 0.55 | — | — | |
| SCHEMBL28543367 | 0.55 | — | — | |
| SCHEMBL6254419 | 0.54 | — | — | |
| SCHEMBL7634643 | 0.52 | — | — | |
| SCHEMBL602159 | 0.51 | GSK3A (0.41) | — | |
| SCHEMBL1742015 | 0.49 | — | — | |
| SCHEMBL9999112 | 0.49 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458891-B1 | TWO POLYMER BLOCKS A EACH HAVING AN AROMATIC VINYL HYDROCARBON COMPOUND MONOMER UNIT AND AT LEAST TWO HYDROGENATED POLYMER BLOCKS B EACH HAVING A HYDROGENATED BUTADIENE MONOMER UNIT. ITS MOLDED ARTICLE, TENSILE ELONGATION AT BREAK AND | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2002-10-01 | — | — | US | disclosed |