⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2713322 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL12168498 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL15200760 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL2710930 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL14839931 | 0.82 | THRA (0.36) | — | |
| SCHEMBL20082353 | 0.79 | — | — | |
| SCHEMBL12098779 | 0.79 | — | — | |
| SCHEMBL22400743 | 0.79 | — | — | |
| SCHEMBL2727413 | 0.79 | — | — | |
| SCHEMBL2713200 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016083303-A1 | PREPARATION OF POLYMERS COMPRISING AT LEAST ONE BENZO[C][1,2,5]THIADIAZOL-5,6-DICARBONITRILE-UNIT | BASF SE (DE) | 2016-06-02 | — | — | WO | disclosed |