⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29101108 | 0.75 | CTSL (0.41) | — | |
| SCHEMBL869115 | 0.75 | CTSL (0.41) | — | |
| SCHEMBL379081 | 0.75 | CTSL (0.41) | — | |
| SCHEMBL16239892 | 0.75 | CTSL (0.41) | — | |
| SCHEMBL11682621 | 0.75 | CTSL (0.41) | — | |
| SCHEMBL23039739 | 0.75 | CTSL (0.41) | — | |
| SCHEMBL20531 | 0.71 | CTSL (0.38) | — | |
| SCHEMBL12258 | 0.71 | — | — | |
| SCHEMBL1326091 | 0.71 | — | — | |
| SCHEMBL5494 | 0.71 | CTSL (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8466176-B2 | Fungicide hydroximoyl-tetrazole derivatives | BAYER CROPSCIENCE AG (DE) | 2013-06-18 | — | — | US | disclosed |
| EP-2440527-A1 | PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE | Topo Target A/S (DK) | 2012-04-18 | — | — | EP | disclosed |
| US-20110105566-A1 | FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2011-05-05 | — | — | US | disclosed |