⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7489 | 0.78 | — | — | |
| SCHEMBL1050198 | 0.78 | NOS3 (0.63) | — | |
| SCHEMBL9472907 | 0.78 | NOS3 (0.63) | — | |
| SCHEMBL19816355 | 0.76 | NOS3 (0.60) | — | |
| Iodide SCHEMBL20816339 | 0.76 | NOS3 (0.60) | — | |
| Hydrogen Sulfide SCHEMBL5051773 | 0.76 | NOS3 (0.60) | — | |
| SCHEMBL487353 | 0.76 | NOS3 (0.60) | — | |
| Fluoride SCHEMBL893225 | 0.76 | NOS3 (0.60) | — | |
| Hydrochloric Acid SCHEMBL458427 | 0.76 | NOS3 (0.60) | — | |
| Bromide SCHEMBL10623440 | 0.76 | NOS3 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010067233-A1 | 1,2,4 TRIAZOLO [4, 3 -A] [1,5] BENZODIAZEPIN-5 (6H) -ONES AS AGONISTS OF THE CHOLECYSTOKININ-1 RECEPTOR (CCK-IR) | PFIZER INC. (US) | 2010-06-17 | — | — | WO | disclosed |
| WO-2008118758-A1 | INHIBITORS OF ION CHANNELS | ICAGEN, INC. (GB) | 2008-10-02 | — | — | WO | disclosed |