⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3085085 | 1.00 | — | — | |
| SCHEMBL3157530 | 1.00 | — | — | |
| SCHEMBL7977298 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL10867819 | 0.77 | — | — | |
| SCHEMBL589923 | 0.71 | — | — | |
| SCHEMBL5932428 | 0.71 | — | — | |
| SCHEMBL3199611 | 0.69 | — | — | |
| SCHEMBL10868552 | 0.69 | LMNA (0.43) | — | |
| SCHEMBL195883 | 0.68 | — | — | |
| SCHEMBL750861 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150982-B1 | PURINE INHIBITORS OF CYCLIN DEPENDENT KINASE 2 AND IkB-alpha | CV THERAPEUTICS INC (US) | 2005-10-12 | — | — | EP | disclosed |
| US-6790958-B2 | ANTIPROLIFERATIVE AGENTS; FUNGICIDES | LUM ROBERT T (US) | 2004-09-14 | — | — | US | disclosed |
| US-5463046-A | 1-β-methyl-2-thiolic carbapenem derivatives | DONG KOOK PHARMACEUTICAL CO., LTD. (KR) | 1995-10-31 | — | — | US | disclosed |