⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10594814 | 0.89 | — | — | |
| SCHEMBL10435269 | 0.88 | — | — | |
| SCHEMBL672417 | 0.87 | — | — | |
| SCHEMBL9336245 | 0.81 | — | — | |
| SCHEMBL10497502 | 0.79 | — | — | |
| SCHEMBL10497879 | 0.78 | — | — | |
| SCHEMBL10525059 | 0.75 | THRB (0.30) | — | |
| SCHEMBL3765018 | 0.75 | THRB (0.30) | — | |
| SCHEMBL9178056 | 0.75 | — | — | |
| SCHEMBL9847948 | 0.74 | ALDH1A1 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0307802-A2 | Thermoplastic resin composition and method for preparing the same | NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) | 1989-03-22 | — | — | EP | disclosed |