⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16143279 | 0.87 | TSHR (0.31) | — | |
| SCHEMBL5324146 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL7935448 | 0.83 | — | — | |
| SCHEMBL27572663 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL15191892 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL5178140 | 0.76 | — | — | |
| SCHEMBL3676797 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL28881846 | 0.74 | APEX1 (0.37) | — | |
| SCHEMBL8075832 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL1262711 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0754736-B1 | HARDENABLE COATING RESIN COMPOSITION, COATED MATERIALS AND CONTAINERS, AND PROCESS FOR PRODUCING THEM | MITSUI CHEMICALS INC (JP) | 2000-10-18 | — | — | EP | disclosed |
| US-5789459-A | ACRYLATED TRIAZINES REACTED WITH ACRYLATED POLYOLS, COATINGS FOR PLASTIC BOTTLES, IMPROVED DURABILITY ALLOWS REUSE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-08-04 | — | — | US | disclosed |
| US-5693390-A | ACRYLIC COATING FOR RETURNABLE BOTTLE | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0754736-A1 | HARDENABLE COATING RESIN COMPOSITION, COATED MATERIALS AND CONTAINERS, AND PROCESS FOR PRODUCING THEM | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-22 | — | — | EP | disclosed |