⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24914140 | 0.84 | — | — | |
| SCHEMBL20405155 | 0.79 | HDAC3 (0.32) | — | |
| SCHEMBL24914119 | 0.70 | — | — | |
| SCHEMBL20405094 | 0.70 | PTGES (0.32) | — | |
| SCHEMBL20405131 | 0.69 | LTB4R2 (0.32) | — | |
| SCHEMBL23655120 | 0.66 | — | — | |
| SCHEMBL20404851 | 0.66 | GRIN2B (0.36) | — | |
| SCHEMBL23654925 | 0.63 | ACHE (0.34) | — | |
| SCHEMBL20407032 | 0.62 | APP (0.40) | — | |
| SCHEMBL23654321 | 0.61 | PTGES (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3351537-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-07-25 | — | — | EP | disclosed |