⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24739 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4900311 | 0.89 | — | — | |
| SCHEMBL1261725 | 0.89 | — | — | |
| Propane SCHEMBL27986223 | 0.80 | — | — | |
| Isobutane SCHEMBL28209599 | 0.80 | — | — | |
| Ethylene Glycol SCHEMBL10529144 | 0.77 | — | — | |
| Phosphonic Acid SCHEMBL11660059 | 0.74 | — | — | |
| SCHEMBL744385 | 0.74 | — | — | |
| SCHEMBL8279795 | 0.74 | — | — | |
| SCHEMBL28596928 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8709295-B2 | Nitrogen-doped carbon-supported cobalt-iron oxygen reduction catalyst | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2014-04-29 | — | — | US | claimed |
| US-20110260119-A1 | NITROGEN-DOPED CARBON-SUPPORTED COBALT-IRON OXYGEN REDUCTION CATALYST | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2011-10-27 | — | — | US | claimed |