⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3294940 | 0.71 | — | — | |
| SCHEMBL12778665 | 0.67 | — | — | |
| SCHEMBL22941190 | 0.67 | — | — | |
| SCHEMBL25431722 | 0.63 | — | — | |
| SCHEMBL21737077 | 0.62 | — | — | |
| SCHEMBL21152933 | 0.62 | — | — | |
| SCHEMBL20521779 | 0.56 | — | — | |
| SCHEMBL2859978 | 0.55 | — | — | |
| SCHEMBL10875730 | 0.55 | — | — | |
| SCHEMBL11119869 | 0.54 | KEAP1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116744918-A | HSD17B13 inhibitors and uses thereof | FL2022-001公司 | 2023-09-12 | — | — | CN | disclosed |
| US-20230167133-A1 | 7H-PYRROLO[2,3-D]PYRIMIDINES AND PREPARATION AND USES THEREOF | VICKERS VENTURE FUND VI PTE. LTD. (SG) | 2023-06-01 | — | — | US | disclosed |