⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21683408 | 1.00 | — | — | |
| SCHEMBL14296860 | 1.00 | — | — | |
| SCHEMBL19145993 | 1.00 | — | — | |
| SCHEMBL19124133 | 1.00 | — | — | |
| SCHEMBL5364024 | 1.00 | — | — | |
| SCHEMBL21684146 | 0.81 | — | — | |
| SCHEMBL12561443 | 0.69 | MGAM (0.31) | — | |
| SCHEMBL14477541 | 0.69 | MGAM (0.31) | — | |
| SCHEMBL14296875 | 0.69 | MGAM (0.31) | — | |
| SCHEMBL5369810 | 0.69 | CA1 (0.32) | — |
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 |