⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21099680 | 0.94 | — | — | |
| SCHEMBL26430743 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL29164954 | 0.77 | — | — | |
| SCHEMBL3881008 | 0.72 | — | — | |
| SCHEMBL514741 | 0.70 | — | — | |
| SCHEMBL1821278 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL27963152 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL4693128 | 0.67 | MME (0.31) | — | |
| SCHEMBL17852222 | 0.67 | — | — | |
| SCHEMBL28046269 | 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-0947510-B1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AG (DE) | 2002-02-13 | — | — | EP | disclosed |