⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19941194 | 0.77 | — | — | |
| SCHEMBL24049825 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL17561029 | 0.65 | AKT2 (0.58) | — | |
| SCHEMBL24977825 | 0.64 | MAPT (0.55) | — | |
| SCHEMBL5313194 | 0.64 | TSHR (0.45) | — | |
| SCHEMBL4889090 | 0.61 | — | — | |
| SCHEMBL22421339 | 0.61 | — | — | |
| SCHEMBL293242 | 0.61 | — | — | |
| SCHEMBL11740266 | 0.61 | — | — | |
| SCHEMBL1197102 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020150677-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |
| WO-2020150674-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |