⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1324927 | 0.75 | — | — | |
| SCHEMBL24487658 | 0.75 | — | — | |
| SCHEMBL21994193 | 0.75 | — | — | |
| SCHEMBL27767439 | 0.73 | — | — | |
| SCHEMBL12820849 | 0.73 | — | — | |
| SCHEMBL1000653 | 0.67 | — | — | |
| SCHEMBL1000654 | 0.67 | — | — | |
| SCHEMBL25907949 | 0.67 | — | — | |
| SCHEMBL25021121 | 0.67 | — | — | |
| SCHEMBL12553966 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11225469-B2 | Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2022-01-18 | — | — | US | disclosed |
| US-20200157076-A1 | ACLY INHIBITORS AND USES THEREOF | NIMBUS DISCOVERY, INC. | 2020-05-21 | — | — | US | disclosed |
| US-20180105508-A1 | INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2018-04-19 | — | — | US | disclosed |