⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3382218 | 0.71 | CA1 (0.37) | — | |
| SCHEMBL30775924 | 0.65 | CA2 (0.31) | — | |
| SCHEMBL28266865 | 0.65 | — | — | |
| SCHEMBL10041202 | 0.65 | — | — | |
| SCHEMBL16629035 | 0.65 | — | — | |
| SCHEMBL1066635 | 0.63 | — | — | |
| SCHEMBL27998853 | 0.63 | — | — | |
| SCHEMBL1066636 | 0.63 | — | — | |
| SCHEMBL16629038 | 0.62 | — | — | |
| SCHEMBL9549830 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |