⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20858988 | 0.84 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL28819130 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL28966118 | 0.82 | — | — | |
| SCHEMBL28966116 | 0.82 | — | — | |
| Acetic Acid SCHEMBL28667404 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL27196604 | 0.75 | LMNA (0.31) | — | |
| SCHEMBL26128601 | 0.75 | — | — | |
| SCHEMBL27424000 | 0.75 | — | — | |
| SCHEMBL20424118 | 0.75 | — | — | |
| SCHEMBL26125568 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1642554-A | Morpholinium urea derivative benzenesulfonates as CCR-3 antagonists for the treatment of inflammation | GLAXO GROUP LTD (GB) | 2005-07-20 | — | — | CN | disclosed |