⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18476825 | 0.83 | — | — | |
| SCHEMBL19629212 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL8141605 | 0.69 | — | — | |
| SCHEMBL12334335 | 0.66 | CHRNB2 (0.42) | — | |
| SCHEMBL14111830 | 0.64 | — | — | |
| SCHEMBL337073 | 0.62 | — | — | |
| SCHEMBL1097724 | 0.60 | — | — | |
| SCHEMBL1628933 | 0.60 | — | — | |
| SCHEMBL31264940 | 0.60 | — | — | |
| SCHEMBL31283789 | 0.60 | — | — |
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-20100113613-A1 | CYCLOHEXANE POLYALCOHOL FORMULATION FOR TREATMENT OF DISORDERS OF PROTEIN AGGREGATION | WARATAH PHARMACEUTICALS (CA) | 2010-05-06 | — | — | US | disclosed |