⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21557625 | 0.78 | P2RX7 (0.30) | — | |
| SCHEMBL24034058 | 0.78 | NOS2 (0.32) | — | |
| SCHEMBL21557794 | 0.77 | — | — | |
| SCHEMBL21557538 | 0.77 | CDC14B (0.35) | — | |
| SCHEMBL24753873 | 0.75 | — | — | |
| SCHEMBL19534228 | 0.74 | — | — | |
| SCHEMBL25522462 | 0.72 | CYP1A2 (0.35) | — | |
| SCHEMBL19637763 | 0.72 | NPC1 (0.39) | — | |
| SCHEMBL19119685 | 0.71 | CYP2D6 (0.34) | — | |
| SCHEMBL21557797 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021230688-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME | 주식회사 엘지화학 | 2021-11-18 | — | — | WO | disclosed |