⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26522952 | 0.73 | — | — | |
| SCHEMBL1693 | 0.67 | — | — | |
| SCHEMBL19107667 | 0.67 | — | — | |
| SCHEMBL2276699 | 0.64 | — | — | |
| SCHEMBL8775808 | 0.64 | — | — | |
| SCHEMBL14557426 | 0.64 | CA1 (0.38) | — | |
| Hydrogen Sulfide SCHEMBL27808480 | 0.64 | — | — | |
| SCHEMBL64578 | 0.62 | — | — | |
| SCHEMBL1937404 | 0.62 | — | — | |
| Fluoride SCHEMBL9331070 | 0.62 | — | — |
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-20240025912-A1 | RIPK1 INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME LLC (US) | 2024-01-25 | — | — | US | disclosed |
| US-20230002390-A1 | HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE | AMGEN INC. | 2023-01-05 | — | — | US | disclosed |
| US-11345950-B2 | Probe for selectively characterizing enzymes involved in xenobiotic metabolism and method of making and using the same | BATTELLE MEMORIAL INSTITUTE (US) | 2022-05-31 | — | — | US | disclosed |
| US-20190100792-A1 | PROBE FOR SELECTIVELY CHARACTERIZING ENZYMES INVOLVED IN XENOBIOTIC METABOLISM AND METHOD OF MAKING AND USING THE SAME | BATTELLE MEMORIAL INSTITUTE | 2019-04-04 | — | — | US | disclosed |
| US-9840512-B2 | Antidiabetic bicyclic compounds | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |