⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27492038 | 0.91 | TYR (0.32) | — | |
| SCHEMBL27509500 | 0.90 | TYR (0.37) | — | |
| SCHEMBL8847390 | 0.89 | TYR (0.39) | — | |
| SCHEMBL6552409 | 0.88 | — | — | |
| SCHEMBL8847473 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL8847734 | 0.75 | — | — | |
| SCHEMBL27490627 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL27492039 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL5609709 | 0.72 | — | — | |
| SCHEMBL27510575 | 0.72 | RECQL (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1616496-A | Catalyst component, catalyst and process for ethylenically unsaturated monomer polymerization | MITSUI CHEMICALS INC (JP) | 2005-05-18 | — | — | CN | disclosed |
| CN-1224026-A | Catalyst component for polymerizing ethylenically unsaturated monomers, catalyst and method of use thereof | MITSUI CHEMICALS INC (JP) | 1999-07-28 | — | — | CN | disclosed |
| EP-0751182-A1 | Olefin thermoplastic elastomer compositions | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-02 | — | — | EP | disclosed |