⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13764540 | 0.76 | ELANE (0.31) | — | |
| SCHEMBL13764541 | 0.57 | — | — | |
| SCHEMBL23960253 | 0.53 | — | — | |
| SCHEMBL5933484 | 0.53 | — | — | |
| SCHEMBL210649 | 0.52 | — | — | |
| SCHEMBL17372874 | 0.51 | — | — | |
| Boric Acid SCHEMBL8816913 | 0.50 | — | — | |
| SCHEMBL5040022 | 0.50 | — | — | |
| SCHEMBL4469860 | 0.47 | — | — | |
| Sulfurous Acid SCHEMBL5276966 | 0.47 | CA1 (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 |
|---|---|---|---|---|---|---|---|
| WO-2008018881-A1 | 6,6-BICYCLIC RING SUBSTITUTED SULFUR CONTAINING HETEROBICYCLIC PROTEIN KINASE INHIBITORS | OSI PHARMACEUTICALS, INC. (US) | 2008-02-14 | — | — | WO | disclosed |