⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19813796 | 0.92 | — | — | |
| Cyanate SCHEMBL28848852 | 0.70 | — | — | |
| SCHEMBL10203456 | 0.69 | — | — | |
| SCHEMBL3207936 | 0.69 | — | — | |
| SCHEMBL10203451 | 0.69 | — | — | |
| Cyanate SCHEMBL10596478 | 0.69 | ESR1 (0.32) | — | |
| SCHEMBL28666863 | 0.67 | — | — | |
| SCHEMBL12852761 | 0.65 | DPP4 (0.31) | — | |
| SCHEMBL602555 | 0.65 | DPP4 (0.31) | — | |
| SCHEMBL28563791 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105940033-A | Stable plasticizers for thermoplastic polyurethanes | 巴斯夫欧洲公司 | 2016-09-14 | — | — | CN | disclosed |