⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12166974 | 0.83 | CA1 (0.42) | — | |
| SCHEMBL12522654 | 0.83 | CA1 (0.42) | — | |
| SCHEMBL13055276 | 0.83 | CA1 (0.42) | — | |
| SCHEMBL12522655 | 0.83 | CA1 (0.42) | — | |
| SCHEMBL12522653 | 0.83 | CA1 (0.42) | — | |
| SCHEMBL20903637 | 0.83 | CA1 (0.42) | — | |
| SCHEMBL16193500 | 0.83 | TRPA1 (0.39) | — | |
| SCHEMBL12166656 | 0.83 | TRPA1 (0.39) | — | |
| Methane SCHEMBL7165206 | 0.81 | CA1 (0.40) | — | |
| SCHEMBL1269844 | 0.81 | CES2 (0.33) | — |
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-20100310640-A1 | HLA-DR BINDING PEPTIDES AND THEIR USES | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH | 2010-12-09 | — | — | US | disclosed |