⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22147418 | 0.81 | CNR1 (0.37) | — | |
| SCHEMBL22650171 | 0.78 | KDM4E (0.36) | — | |
| SCHEMBL18180957 | 0.76 | KDM4E (0.42) | — | |
| SCHEMBL18180955 | 0.75 | KDM4E (0.41) | — | |
| SCHEMBL18180844 | 0.75 | KDM4E (0.41) | — | |
| SCHEMBL21099046 | 0.75 | DHODH (0.34) | — | |
| SCHEMBL20169564 | 0.74 | KDM4E (0.37) | — | |
| SCHEMBL21098947 | 0.74 | SIRT2 (0.33) | — | |
| SCHEMBL22590236 | 0.72 | HIF1A (0.30) | — | |
| SCHEMBL18180956 | 0.72 | KDM4E (0.42) | — |
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-10797245-B2 | Compound for organic optoelectronic element, organic optoelectronic element, and display device | SAMSUNG SDI CO., LTD. (KR) | 2020-10-06 | — | — | US | disclosed |
| US-20170309830-A1 | COMPOUND FOR ORGANIC OPTOELECTRONIC ELEMENT, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE | SAMSUNG SDI CO., LTD. (KR) | 2017-10-26 | — | — | US | disclosed |