⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10931541 | 0.79 | — | — | |
| SCHEMBL14152069 | 0.77 | — | — | |
| SCHEMBL12542645 | 0.77 | — | — | |
| SCHEMBL12363578 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL26393 | 0.73 | — | — | |
| SCHEMBL7709333 | 0.73 | — | — | |
| Lithium Ion SCHEMBL2939810 | 0.71 | TP53 (0.31) | — | |
| SCHEMBL8668525 | 0.71 | DPP4 (0.50) | — | |
| Fluoride SCHEMBL27557296 | 0.71 | — | — | |
| SCHEMBL865860 | 0.71 | DPP4 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0983058-B1 | MEDICINAL AEROSOL PRODUCTS | MINNESOTA MINING & MFG (US) | 2003-07-30 | — | — | EP | claimed |
| CN-102145044-B | Compound spray for treating cardiovascular and cerebrovascular diseases and preparation method of compound spraying | TIANSHENG PHARMACEUTICAL GROUP CO LTD | 2012-05-30 | — | — | CN | disclosed |
| CN-102145044-A | Compound spray for treating cardiovascular and cerebrovascular diseases and preparation method of compound spraying | TIANSHENG PHARMACEUTICAL GROUP CO LTD | 2011-08-10 | — | — | CN | disclosed |