⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2105786 | 0.87 | — | — | |
| SCHEMBL3220134 | 0.82 | — | — | |
| SCHEMBL19405679 | 0.80 | — | — | |
| SCHEMBL1229344 | 0.79 | NR1H3 (0.36) | — | |
| SCHEMBL22363134 | 0.79 | — | — | |
| SCHEMBL19405589 | 0.78 | LMNA (0.30) | — | |
| SCHEMBL2479302 | 0.76 | HSD11B1 (0.39) | — | |
| SCHEMBL4283774 | 0.76 | PDK1 (0.30) | — | |
| SCHEMBL22362899 | 0.75 | — | — | |
| SCHEMBL3707470 | 0.74 | NR1H2 (0.34) | — |
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-4948813-A | Benzylketone phospholipase A2 inhibitors | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-08-14 | — | — | US | claimed |
| US-5075339-A | Antiinflammatory agents, antiallergens | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-12-24 | — | — | US | disclosed |
| US-4948813-A | Benzylketone phospholipase A2 inhibitors | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-08-14 | — | — | US | disclosed |