⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18399208 | 0.72 | — | — | |
| SCHEMBL8331606 | 0.72 | — | — | |
| SCHEMBL9618882 | 0.63 | MYC (0.32) | — | |
| SCHEMBL17551961 | 0.60 | — | — | |
| SCHEMBL31212834 | 0.59 | — | — | |
| SCHEMBL7890751 | 0.58 | — | — | |
| SCHEMBL13666507 | 0.58 | — | — | |
| SCHEMBL19255306 | 0.58 | — | — | |
| SCHEMBL13261894 | 0.58 | — | — | |
| SCHEMBL66818 | 0.56 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0244193-B1 | DIHALOGEN-SUBSTITUTED THIOCYANOPYRIMIDINE DERIVATIVES | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-01-08 | — | — | EP | disclosed |
| US-4814337-A | Dihalogen-substituted thiocyanopyrimidine derivatives, and agricultural and horticultural fungicidal compositions containing same | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1989-03-21 | — | — | US | disclosed |
| EP-0244193-A2 | Dihalogen-substituted thiocyanopyrimidine derivatives | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1987-11-04 | — | — | EP | disclosed |