⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7561903 | 0.67 | — | — | |
| SCHEMBL3117258 | 0.50 | — | — | |
| P-Xylene SCHEMBL7628214 | 0.48 | ACHE (0.80) | — | |
| P-Xylene SCHEMBL6903773 | 0.48 | ACHE (0.80) | — | |
| SCHEMBL11277497 | 0.46 | — | — | |
| SCHEMBL7104897 | 0.46 | — | — | |
| SCHEMBL895221 | 0.46 | — | — | |
| SCHEMBL1468768 | 0.45 | — | — | |
| SCHEMBL39444 | 0.43 | TSHR (0.57) | — | |
| SCHEMBL26115 | 0.43 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20030144249-A1 | Use of organophosphorous compounds for producing a medicament for treating infections | JOMAA PHARMAKA GMBH (DE) | 2003-07-31 | — | — | US | disclosed |