⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9246880 | 0.57 | — | — | |
| SCHEMBL910100 | 0.55 | — | — | |
| SCHEMBL104998 | 0.53 | — | — | |
| SCHEMBL18828483 | 0.53 | — | — | |
| SCHEMBL9925984 | 0.52 | — | — | |
| SCHEMBL12087698 | 0.52 | — | — | |
| SCHEMBL5586376 | 0.52 | — | — | |
| SCHEMBL7711659 | 0.52 | — | — | |
| SCHEMBL5586377 | 0.52 | — | — | |
| SCHEMBL5586375 | 0.52 | — | — |
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-20110301664-A1 | NEUROMODULATORY METHODS FOR TREATING PULMONARY DISORDERS | THE CLEVELAND CLINIC FOUNDATION | 2011-12-08 | — | — | US | disclosed |