⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22423359 | 0.68 | — | — | |
| SCHEMBL10017385 | 0.62 | — | — | |
| SCHEMBL18322218 | 0.47 | — | — | |
| SCHEMBL18322223 | 0.47 | — | — | |
| Ammonia Solution, Strong SCHEMBL28252936 | 0.46 | — | — | |
| Ammonia Solution, Strong SCHEMBL14060854 | 0.44 | — | — | |
| Ammonia Solution, Strong SCHEMBL11444488 | 0.44 | — | — | |
| Acetonitrile SCHEMBL25284595 | 0.40 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL9935942 | 0.40 | TSHR (0.33) | — | |
| Cyanamide SCHEMBL3610843 | 0.40 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-57038776-A | — | — | None | — | — | JP | disclosed |
| JP-S5738776-A | NOVEL DICYANODIHYDROPYRAZINE DERIVATIVE | KYOWA GAS CHEM IND CO LTD | 1982-03-03 | — | — | JP | disclosed |