⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL279962 | 0.97 | — | — | |
| SCHEMBL681012 | 0.97 | — | — | |
| SCHEMBL681011 | 0.97 | — | — | |
| SCHEMBL11110193 | 0.93 | — | — | |
| SCHEMBL11110195 | 0.93 | — | — | |
| SCHEMBL1942945 | 0.76 | — | — | |
| SCHEMBL12560977 | 0.76 | — | — | |
| SCHEMBL883819 | 0.76 | — | — | |
| SCHEMBL1075115 | 0.73 | — | — | |
| SCHEMBL295715 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9562882-B2 | Nanoporous detectors of monocyclic aromatic compounds and other pollutants | CEA—COMMISSARIAT ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2017-02-07 | — | — | US | disclosed |
| US-20140242713-A1 | NANOPOROUS DETECTORS OF MONOCYCLIC AROMATIC COMPOUNDS AND OTHER POLLUTANTS | CEA - COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2014-08-28 | — | — | US | disclosed |
| US-8759111-B2 | Nanoporous detectors of monocyclic aromatic compounds and other pollutants | CEA—Commisariat a l'Energie Atomique et aux Energies Alternatives (FR) | 2014-06-24 | — | — | US | disclosed |
| US-20110151573-A1 | Nanoporous Detectors of Monocyclic Aromatic Compounds and Other Pollutants | CEA (FR) | 2011-06-23 | — | — | US | disclosed |