⚠ 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 | |
|---|---|---|---|---|
| Maleic Acid SCHEMBL9500750 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL9794925 | 0.79 | NOS3 (0.31) | — | |
| SCHEMBL67012 | 0.79 | — | — | |
| Methacrylic Acid SCHEMBL16932392 | 0.78 | — | — | |
| SCHEMBL11329197 | 0.73 | — | — | |
| SCHEMBL27655672 | 0.68 | — | — | |
| SCHEMBL5934422 | 0.68 | — | — | |
| SCHEMBL5934419 | 0.68 | — | — | |
| SCHEMBL1428318 | 0.67 | PYGM (0.35) | — | |
| SCHEMBL1286030 | 0.67 | PYGM (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0325861-B1 | AQUEOUS DISPERSION-TYPE ADHESIVE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1993-05-19 | — | — | EP | disclosed |
| EP-0325861-A2 | Aqueous dispersion-type adhesive | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1989-08-02 | — | — | EP | disclosed |