⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27096131 | 0.84 | — | — | |
| SCHEMBL29016 | 0.76 | — | — | |
| SCHEMBL2798309 | 0.68 | — | — | |
| Hydrogen Sulfide SCHEMBL1674715 | 0.68 | — | — | |
| SCHEMBL8967414 | 0.68 | — | — | |
| Charcoal, Activated SCHEMBL7199313 | 0.68 | — | — | |
| Hydrogen Sulfide SCHEMBL11460325 | 0.68 | — | — | |
| Fluoride SCHEMBL2648816 | 0.68 | — | — | |
| SCHEMBL9223832 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8386129 | 0.68 | — | — |
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-2015173589-A2 | A METHOD AND APPARATUS FOR FABRICATING A CARBON NANOTUBE | PERPETUUS RESEARCH & DEVELOPMENT LIMITED (GB) | 2015-11-19 | — | — | WO | disclosed |
| US-6383301-B1 | Treatment of deagglomerated particles with plasma-activated species | E. I. DU PONT DE NEMOURS AND COMPANY | 2002-05-07 | — | — | US | disclosed |