⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3210308 | 0.82 | — | — | |
| SCHEMBL11696686 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL7193089 | 0.74 | TSHR (0.37) | — | |
| SCHEMBL11696693 | 0.73 | — | — | |
| Sulfuric Acid SCHEMBL18112504 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL147492 | 0.69 | KDM4E (0.36) | — | |
| SCHEMBL30131178 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL30424122 | 0.66 | TSHR (0.31) | — | |
| SCHEMBL4490324 | 0.65 | — | — | |
| SCHEMBL8854412 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0926189-B1 | A macromolecular material composition and a modifier for macromolecular material | HITACHI CHEMICAL CO LTD (JP) | 2004-04-14 | — | — | EP | disclosed |
| US-6103828-A | A BLENDS COMPRISING THERMOPLASTIC RESINS, THERMOSETTING RESINS AND RUBBERS, AND A POLYVINYL CYCLOHEXANE RESIN OR ACOMPOUND HAVING HYDROINDANE AS VISCOSITY MODIFIER; IMPROVES MELT FLOW, FLEXIBILITY AT A LOW TEMPERATURE, BENDING STRENGTH | HITACHI CHEMICAL CO. LTD. (JP) | 2000-08-15 | — | — | US | disclosed |
| EP-0926189-A2 | A macromolecular material composition and a modifier for macromolecular material | HITACHI CHEMICAL CO., LTD. (JP) | 1999-06-30 | — | — | EP | disclosed |