⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21846795 | 0.77 | — | — | |
| SCHEMBL20666007 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL4924521 | 0.74 | — | — | |
| SCHEMBL4924509 | 0.74 | — | — | |
| SCHEMBL4925483 | 0.74 | — | — | |
| SCHEMBL24761370 | 0.73 | GAA (0.32) | — | |
| SCHEMBL21426657 | 0.67 | PDCD1LG2 (0.35) | — | |
| SCHEMBL3741280 | 0.67 | CRBN (0.44) | — | |
| SCHEMBL8271926 | 0.67 | — | — | |
| SCHEMBL1936620 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210292285-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC (US) | 2021-09-23 | — | — | US | disclosed |
| WO-2008057802-A2 | COMPOSITIONS COMPRISING AT LEAST ONE ACID LABILE PROTON PUMP INHIBITING AGENTS, OPTIONALLY OTHER PHARMACEUTICALLY ACTIVE AGENTS AND METHODS OF USING SAME | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2008-05-15 | — | — | WO | disclosed |
| US-20080103169-A1 | COMPOSITIONS COMPRISING ACID LABILE PROTON PUMP INHIBITING AGENTS, AT LEAST ONE OTHER PHARMACEUTICALLY ACTIVE AGENT AND METHODS OF USING SAME | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2008-05-01 | — | — | US | disclosed |
| US-20080103169-A1 | COMPOSITIONS COMPRISING ACID LABILE PROTON PUMP INHIBITING AGENTS, AT LEAST ONE OTHER PHARMACEUTICALLY ACTIVE AGENT AND METHODS OF USING SAME | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2008-05-01 | — | — | US | disclosed |
| WO-2007070164-A1 | PHARMACEUTICAL COMPOSITION COMPRISING A PROTON PUMP INHIBITOR, A BUFFERING AGENT AND AN ANTI-H. PYLORI ACTIVE SUBSTANCE AND METHODS OF USING SAME | THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) | 2007-06-21 | — | — | WO | disclosed |