⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21647633 | 0.84 | — | — | |
| SCHEMBL3705870 | 0.84 | KDM4E (0.31) | — | |
| SCHEMBL2770517 | 0.83 | — | — | |
| SCHEMBL720416 | 0.82 | PTGES (0.32) | — | |
| SCHEMBL2802022 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL2771064 | 0.82 | HSD17B1 (0.32) | — | |
| SCHEMBL2770135 | 0.81 | CYP2C19 (0.31) | — | |
| SCHEMBL28696388 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL5526904 | 0.78 | — | — | |
| SCHEMBL8209208 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080124455-A1 | ORGANIC LIGHT EMITTING COMPOUND, ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME, AND METHOD OF MANUFACTURING THE ORGANIC LIGHT EMITTING DEVICE | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2008-05-29 | — | — | US | disclosed |