⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL530432 | 0.79 | HDAC4 (0.31) | — | |
| SCHEMBL18311446 | 0.79 | — | — | |
| SCHEMBL16872859 | 0.78 | GAA (0.31) | — | |
| SCHEMBL27715399 | 0.78 | MAOB (0.31) | — | |
| SCHEMBL510772 | 0.77 | — | — | |
| SCHEMBL11819984 | 0.76 | — | — | |
| SCHEMBL5546780 | 0.74 | — | — | |
| SCHEMBL6563901 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL28533741 | 0.71 | SLC6A4 (0.33) | — | |
| SCHEMBL28864489 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2476738-B1 | NEW HETEROCYCLIC DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE USING SAME | LG CHEMICAL LTD (KR) | 2017-11-01 | — | — | EP | disclosed |
| US-8673460-B2 | Heterocyclic derivative and organic light emitting device using same | LG CHEM, LTD. (KR) | 2014-03-18 | — | — | US | disclosed |
| EP-2476738-A2 | NEW HETEROCYCLIC DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE USING SAME | LG Chem, Ltd. (KR) | 2012-07-18 | — | — | EP | disclosed |
| US-20120161612-A1 | NEW HETEROCYCLIC DERIVATIVE AND ORGANIC LIGHT EMITTING DEVICE USING SAME | LG CHEM, LTD. (KR) | 2012-06-28 | — | — | US | disclosed |