⚠ 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 | |
|---|---|---|---|---|
| Cyanate SCHEMBL11311543 | 0.78 | — | — | |
| Cyanate SCHEMBL476210 | 0.78 | — | — | |
| Cyanate SCHEMBL5794390 | 0.78 | — | — | |
| Cyanate SCHEMBL9247034 | 0.78 | CA1 (1.00) | — | |
| Cyanate SCHEMBL19680 | 0.78 | — | — | |
| Cyanate SCHEMBL3699783 | 0.78 | — | — | |
| Cyanate SCHEMBL28127010 | 0.76 | — | — | |
| Thiourea SCHEMBL27351654 | 0.76 | — | — | |
| Cyanate SCHEMBL27336389 | 0.74 | — | — | |
| Cyanate SCHEMBL10698949 | 0.74 | — | — |
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-106831619-A | The preparation method of the western Nader's impurity of thunder | 中国药科大学 | 2017-06-13 | — | — | CN | disclosed |