⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19018297 | 0.78 | GPR3 (0.39) | — | |
| SCHEMBL19495024 | 0.75 | GAA (0.38) | — | |
| SCHEMBL14900028 | 0.69 | PIM1 (0.35) | — | |
| SCHEMBL24104506 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL24154867 | 0.63 | AKT1 (0.35) | — | |
| SCHEMBL10313360 | 0.61 | PARP1 (0.31) | — | |
| SCHEMBL24541282 | 0.58 | BCHE (0.31) | — | |
| SCHEMBL20982375 | 0.58 | BCHE (0.31) | — | |
| SCHEMBL12194864 | 0.57 | MAOB (0.41) | — | |
| SCHEMBL8222251 | 0.57 | HTR7 (0.32) | — |
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-7914706-B2 | Quinoxaline derivative; light-emitting diode, light-emitting electrochemical cell, photodetector, anti-quenching materials | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-03-29 | — | — | US | disclosed |
| US-20080227981-A1 | CHARGE TRANSPORT COMPOSITIONS AND ELECTRONIC DEVICES MADE WITH SUCH COMPOSITIONS | LG CHEM, LTD. (KR) | 2008-09-18 | — | — | US | disclosed |