⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25435 | 0.96 | — | — | |
| Iodide SCHEMBL30896465 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL458653 | 0.92 | — | — | |
| SCHEMBL23259 | 0.74 | — | — | |
| SCHEMBL61770 | 0.72 | LMNA (0.30) | — | |
| SCHEMBL19343231 | 0.72 | — | — | |
| SCHEMBL23060062 | 0.72 | CA12 (0.56) | — | |
| Iodide SCHEMBL20969954 | 0.72 | — | — | |
| SCHEMBL293454 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL3751683 | 0.72 | — | — |
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-6855828-B1 | Detection of hypoxia | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2005-02-15 | — | — | US | disclosed |
| US-20050026974-A1 | Detection of hypoxia | TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA | 2005-02-03 | — | — | US | disclosed |
| US-6252087-B1 | COMPLEXING WITH A PROTEIN | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA | 2001-06-26 | — | — | US | disclosed |