⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2227082 | 0.58 | — | — | |
| SCHEMBL9044064 | 0.56 | — | — | |
| SCHEMBL29086220 | 0.55 | — | — | |
| SCHEMBL2043675 | 0.50 | — | — | |
| SCHEMBL10339550 | 0.46 | — | — | |
| SCHEMBL17185618 | 0.46 | — | — | |
| SCHEMBL313007 | 0.46 | — | — | |
| SCHEMBL237328 | 0.43 | — | — | |
| SCHEMBL1190870 | 0.43 | — | — | |
| SCHEMBL2554291 | 0.41 | — | — |
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-0947510-B1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AG (DE) | 2002-02-13 | — | — | EP | disclosed |
| EP-0947510-A1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-06 | — | — | EP | disclosed |