⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16660165 | 0.58 | — | — | |
| SCHEMBL6850987 | 0.55 | GSK3A (0.44) | — | |
| SCHEMBL2601688 | 0.55 | — | — | |
| SCHEMBL5358828 | 0.52 | — | — | |
| SCHEMBL9579584 | 0.50 | GSK3A (0.39) | — | |
| SCHEMBL15414117 | 0.50 | — | — | |
| SCHEMBL133474 | 0.50 | GSK3A (0.39) | — | |
| SCHEMBL23244632 | 0.44 | — | — | |
| Methane SCHEMBL16008272 | 0.44 | — | — | |
| SCHEMBL25237674 | 0.44 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020015940-A1 | Method of gene expression screening | UNIVERSITY OF MARYLAND BIOTECHNOLOGY INSTITUTE | 2002-02-07 | — | — | US | disclosed |