⚠ 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 | |
|---|---|---|---|---|
| 1,2,4-Triazole SCHEMBL2141756 | 1.00 | — | — | |
| 1,2,4-Triazole SCHEMBL3120386 | 0.96 | — | — | |
| 1,2,4-Triazole SCHEMBL15656661 | 0.96 | — | — | |
| 1,2,4-Triazole SCHEMBL16529719 | 0.96 | — | — | |
| 1,2,4-Triazole SCHEMBL6278932 | 0.96 | — | — | |
| 1,2,4-Triazole SCHEMBL25331740 | 0.96 | — | — | |
| 1,2,4-Triazole SCHEMBL4561280 | 0.96 | — | — | |
| 1,2,4-Triazole SCHEMBL10937644 | 0.96 | — | — | |
| 1,2,4-Triazole SCHEMBL7119493 | 0.96 | — | — | |
| 1,2,4-Triazole SCHEMBL7119954 | 0.96 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1709039-A1 | METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | Lanxess Deutschland GmbH (DE) | 2006-10-11 | — | — | EP | claimed |
| WO-2005068459-A1 | METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-07-28 | — | — | WO | claimed |
| EP-1709039-A1 | METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | Lanxess Deutschland GmbH (DE) | 2006-10-11 | — | — | EP | disclosed |
| WO-2005068459-A1 | METALLIC COMPLEXES USED AS LIGHT-ABSORBENT COMPOUNDS IN THE INFORMATION LAYER OF OPTICAL DATA CARRIERS | LANXESS DEUTSCHLAND GMBH (DE) | 2005-07-28 | — | — | WO | disclosed |