⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25230832 | 1.00 | — | — | |
| SCHEMBL114676 | 1.00 | — | — | |
| SCHEMBL7908068 | 0.91 | EPHX1 (0.46) | — | |
| SCHEMBL4441744 | 0.89 | EPHX1 (0.50) | — | |
| SCHEMBL6656428 | 0.85 | CPN1 (0.39) | — | |
| SCHEMBL29218767 | 0.83 | THRB (0.34) | — | |
| SCHEMBL30034908 | 0.83 | EPHX2 (0.41) | — | |
| SCHEMBL17494384 | 0.80 | KDM4E (0.35) | — | |
| SCHEMBL28776421 | 0.80 | KDM4E (0.35) | — | |
| SCHEMBL17494386 | 0.80 | KDM4E (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240190855-A1 | CDK INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. | 2024-06-13 | — | — | US | disclosed |
| CN-113423711-B | Thieno [3,2-B ] pyridine derivatives as UDP glycosyltransferase inhibitors and methods of use thereof | 建新公司 | 2024-03-15 | — | — | CN | disclosed |