⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29926801 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL9066522 | 0.75 | KCNH2 (0.32) | — | |
| SCHEMBL31216177 | 0.75 | DNM1 (0.40) | — | |
| SCHEMBL9665893 | 0.75 | DNM1 (0.40) | — | |
| SCHEMBL6445686 | 0.75 | DNM1 (0.40) | — | |
| SCHEMBL6443439 | 0.75 | DNM1 (0.40) | — | |
| SCHEMBL6446347 | 0.75 | DNM1 (0.40) | — | |
| SCHEMBL6443323 | 0.75 | DNM1 (0.40) | — | |
| SCHEMBL3678757 | 0.73 | LTA4H (0.38) | — | |
| SCHEMBL30969332 | 0.73 | — | — |
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-2276359-A2 | METHOD FOR NEUTRALIZATION, ADSORPTION, AND ABSORPTION OF HAZARDOUS OR OTHERWISE UNDESIRED COMPOUNDS IN A TOBACCO PRODUCT | NanoScale Corporation (US) | 2011-01-26 | — | — | EP | disclosed |
| US-20090260645-A1 | METHOD FOR NEUTRALIZATION, ADSORPTION, AND ABSORPTION OF HAZARDOUS OR OTHERWISE UNDESIRED COMPOUNDS IN A TOBACCO PRODUCT | NANOSCALE CORPORATION (US) | 2009-10-22 | — | — | US | disclosed |
| WO-2009129255-A2 | METHOD FOR NEUTRALIZATION, ADSORPTION, AND ABSORPTION OF HAZARDOUS OR OTHERWISE UNDESIRED COMPOUNDS IN A TOBACCO PRODUCT | NANOSCALE CORPORATION (US) | 2009-10-22 | — | — | WO | disclosed |