⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21218770 | 0.82 | ACHE (0.33) | — | |
| SCHEMBL8527219 | 0.71 | CYP1A2 (0.35) | — | |
| SCHEMBL187040 | 0.71 | TDP2 (0.40) | — | |
| Ammonia Solution, Strong SCHEMBL6571726 | 0.69 | CYP1A2 (0.33) | — | |
| SCHEMBL12980397 | 0.67 | TDP1 (0.30) | — | |
| SCHEMBL14223559 | 0.67 | — | — | |
| SCHEMBL6015155 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL23166979 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL15054663 | 0.67 | TRPA1 (0.40) | — | |
| SCHEMBL29966228 | 0.67 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5159008-A | High viscosity polyphenylene ether, low viscosity polyphenylen ether, polyamide unsaturated polar compound, and mineral filles and-or glass fibers | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1992-10-27 | — | — | US | disclosed |
| EP-0454156-A2 | Thermoplastic resin composition | MITSUBISHI CHEMICAL CORPORATION (JP) | 1991-10-30 | — | — | EP | disclosed |