⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27861079 | 0.78 | — | — | |
| SCHEMBL28786642 | 0.77 | CYP19A1 (0.41) | — | |
| SCHEMBL18546634 | 0.74 | — | — | |
| SCHEMBL28057897 | 0.74 | — | — | |
| SCHEMBL19458983 | 0.74 | — | — | |
| SCHEMBL10974611 | 0.72 | CYP17A1 (0.49) | — | |
| SCHEMBL28286874 | 0.71 | CYP17A1 (0.41) | — | |
| SCHEMBL6654721 | 0.70 | — | — | |
| SCHEMBL1006330 | 0.69 | CYP19A1 (0.45) | — | |
| SCHEMBL28858796 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106046782-A | Modified cyanate resin and preparation method thereof | 苏州大学 | 2016-10-26 | — | — | CN | disclosed |
| CN-105838068-A | Polyion liquid-modified carbon nano-tube hybrid material and preparation method thereof | 苏州大学 | 2016-08-10 | — | — | CN | disclosed |