⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14210164 | 0.91 | — | — | |
| SCHEMBL14850147 | 0.82 | PGR (0.34) | — | |
| SCHEMBL25681781 | 0.81 | PGR (0.34) | — | |
| SCHEMBL10002192 | 0.80 | — | — | |
| SCHEMBL14850148 | 0.75 | PDK2 (0.32) | — | |
| SCHEMBL14282512 | 0.73 | PGR (0.33) | — | |
| SCHEMBL12611469 | 0.73 | — | — | |
| SCHEMBL14570397 | 0.73 | — | — | |
| SCHEMBL12621077 | 0.73 | — | — | |
| SCHEMBL11977576 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9711729-B2 | Organic electronic element comprising fullerene derivative | LG CHEM, LTD. (KR) | 2017-07-18 | — | — | US | disclosed |
| US-20160087213-A1 | ORGANIC ELECTRONIC ELEMENT COMPRISING FULLERENE DERIVATIVE | LG CHEM, LTD. (KR) | 2016-03-24 | — | — | US | disclosed |