⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7858755 | 0.78 | — | — | |
| SCHEMBL29173174 | 0.74 | PTGS1 (0.32) | — | |
| SCHEMBL833026 | 0.70 | — | — | |
| SCHEMBL357390 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL28646979 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL18441109 | 0.60 | — | — | |
| SCHEMBL9485973 | 0.60 | — | — | |
| SCHEMBL9953767 | 0.60 | ALDH1A1 (0.31) | — | |
| SCHEMBL9720090 | 0.59 | — | — | |
| SCHEMBL2820471 | 0.59 | DNTT (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5811458-A | USEFUL FOR PREVENTION 5-LIPOXYGENASE ACTIVITY IN LEUKAEMIA CELLS IN RODENTS AND IN HUMAN LEUKOCYTES | REICHLING JURGEN (DE) | 1998-09-22 | — | — | US | disclosed |
| WO-1995013263-A1 | PHENYL PROPANE DERIVATIVES AS ANTIBIOTICS AND LIPOXYGENASE INHIBITORS | REICHLING JUERGEN (DE) | 1995-05-18 | — | — | WO | disclosed |