⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19434573 | 0.64 | PDE1B (0.32) | — | |
| SCHEMBL73936 | 0.55 | — | — | |
| SCHEMBL22194798 | 0.55 | — | — | |
| SCHEMBL5821191 | 0.55 | — | — | |
| SCHEMBL8621147 | 0.55 | — | — | |
| SCHEMBL10751007 | 0.55 | — | — | |
| SCHEMBL11414515 | 0.54 | — | — | |
| SCHEMBL336074 | 0.49 | — | — | |
| SCHEMBL10609471 | 0.49 | — | — | |
| SCHEMBL4324422 | 0.45 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0496617-B1 | Adenosine kinase inhibitors | METABASIS THERAPEUTICS INC (US) | 1999-12-01 | — | — | EP | disclosed |
| US-5646128-A | TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS | GENSIA, INC. (US) | 1997-07-08 | — | — | US | disclosed |
| WO-1994017803-A9 | ADENOSINE KINASE INHIBITORS | — | 1994-09-29 | — | — | WO | disclosed |
| WO-1992012718-A1 | ADENOSINE KINASE INHIBITORS | GENSIA, INC. (US) | 1992-08-06 | — | — | WO | disclosed |
| EP-0496617-A1 | Adenosine kinase inhibitors | GENSIA, INC. (US) | 1992-07-29 | — | — | EP | disclosed |