⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2063634 | 0.73 | LMNA (0.57) | — | |
| 1,4-Dichlorobenzene SCHEMBL5191 | 0.71 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL11243685 | 0.71 | — | — | |
| SCHEMBL13994378 | 0.69 | — | — | |
| SCHEMBL972392 | 0.69 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL6534336 | 0.67 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL6230506 | 0.67 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL6228832 | 0.67 | — | — | |
| 1,4-Dichlorobenzene SCHEMBL5144812 | 0.67 | LMNA (0.89) | — | |
| 1,4-Dichlorobenzene SCHEMBL11577097 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2215093-B1 | NOVEL PIPERAZINO-DIHYDROTHIENOPYRIMIDINE DERIVATIVES | BOEHRINGER INGELHEIM INT (DE) | 2011-12-14 | — | — | EP | disclosed |