⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21159688 | 0.92 | — | — | |
| SCHEMBL21160287 | 0.92 | — | — | |
| SCHEMBL21159940 | 0.91 | — | — | |
| SCHEMBL21160120 | 0.91 | — | — | |
| SCHEMBL23655146 | 0.89 | PGR (0.34) | — | |
| SCHEMBL21160003 | 0.88 | PDK2 (0.30) | — | |
| SCHEMBL21159986 | 0.87 | NPC1 (0.31) | — | |
| SCHEMBL21159712 | 0.87 | ABL1 (0.30) | — | |
| SCHEMBL22057038 | 0.85 | SSTR2 (0.32) | — | |
| SCHEMBL21159945 | 0.81 | NPC1 (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 |