⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11331982 | 0.82 | — | — | |
| SCHEMBL1106957 | 0.76 | — | — | |
| SCHEMBL11148415 | 0.74 | — | — | |
| SCHEMBL26020968 | 0.74 | — | — | |
| SCHEMBL19962264 | 0.72 | — | — | |
| SCHEMBL18552724 | 0.72 | — | — | |
| SCHEMBL7023863 | 0.70 | — | — | |
| SCHEMBL9527147 | 0.69 | GAA (0.32) | — | |
| SCHEMBL27335204 | 0.69 | POLB (0.32) | — | |
| SCHEMBL11703143 | 0.69 | CA1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0013386-B1 | PROCESS FOR THE PREPARATION OF 1,3,4-THIADIAZOLES | BASF Aktiengesellschaft (DE) | 1983-03-09 | — | — | EP | disclosed |
| EP-0013386-A2 | Process for the preparation of 1,3,4-thiadiazoles | BASF Aktiengesellschaft (DE) | 1980-07-23 | — | — | EP | disclosed |