⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27044724 | 0.87 | GCGR (0.30) | — | |
| SCHEMBL25680434 | 0.85 | — | — | |
| SCHEMBL24023521 | 0.82 | — | — | |
| SCHEMBL26462240 | 0.80 | — | — | |
| SCHEMBL19685357 | 0.74 | — | — | |
| SCHEMBL20621313 | 0.73 | NOS3 (0.31) | — | |
| SCHEMBL22648446 | 0.71 | — | — | |
| SCHEMBL25087010 | 0.70 | — | — | |
| SCHEMBL13045196 | 0.70 | — | — | |
| SCHEMBL23236780 | 0.70 | — | — |
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-20230353959-A1 | PI3K-ALPHA INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2023-11-02 | — | — | US | disclosed |
| US-20210355103-A1 | PARG INHIBITORS AND METHOD OF USE THEREOF | CITY OF HOPE | 2021-11-18 | — | — | US | disclosed |
| US-20200131132-A1 | FARNESOID X RECEPTOR AGONISTS AND USES THEREOF | METACRINE, INC. | 2020-04-30 | — | — | US | disclosed |