⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19125188 | 1.00 | — | — | |
| SCHEMBL19145969 | 1.00 | — | — | |
| SCHEMBL19124228 | 0.83 | ADORA3 (0.41) | — | |
| SCHEMBL19129592 | 0.83 | ADORA3 (0.41) | — | |
| SCHEMBL19146605 | 0.83 | ADORA3 (0.41) | — | |
| SCHEMBL19145959 | 0.81 | — | — | |
| SCHEMBL19129718 | 0.81 | — | — | |
| SCHEMBL19126130 | 0.81 | — | — | |
| SCHEMBL19124363 | 0.81 | ADORA3 (0.32) | — | |
| SCHEMBL19124451 | 0.78 | ADORA3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170204101-A1 | COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF | HANDOK INC. (KR) | 2017-07-20 | — | — | US | disclosed |
| US-20170204101-A1 | COMPOUNDS ANTAGONIZING A3 ADENOSINE RECEPTOR, METHOD FOR PREPARING THEM, AND MEDICAL-USE THEREOF | HANDOK INC. (KR) | 2017-07-20 | — | — | US | disclosed |