⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11003248 | 0.62 | — | — | |
| SCHEMBL4261904 | 0.59 | — | — | |
| SCHEMBL11315691 | 0.58 | — | — | |
| SCHEMBL6958390 | 0.55 | — | — | |
| SCHEMBL15912966 | 0.54 | — | — | |
| SCHEMBL31058804 | 0.53 | — | — | |
| SCHEMBL1094400 | 0.52 | — | — | |
| SCHEMBL19590779 | 0.51 | — | — | |
| Hydrochloric Acid SCHEMBL1126384 | 0.51 | — | — | |
| SCHEMBL333354 | 0.51 | — | — |
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-5854006-A | Gamma-glutamyl transpeptidase-specific antibody, prodrugs for the treatment of gamma-glutamyl transpeptidase-expressing tumors, and methods of administration thereof | THE UNIVERSITY OF VIRGINIA (US) | 1998-12-29 | — | — | US | disclosed |