⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23427499 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL23428289 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL23472983 | 0.84 | ALOX5 (0.30) | — | |
| SCHEMBL21687015 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL23428316 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL22293524 | 0.82 | PIM3 (0.35) | — | |
| SCHEMBL25744692 | 0.81 | PIM3 (0.30) | — | |
| SCHEMBL23472869 | 0.80 | — | — | |
| SCHEMBL23719719 | 0.78 | CYP2A6 (0.33) | — | |
| SCHEMBL23472788 | 0.78 | CYP1A2 (0.30) | — |
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-3859812-A1 | ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2021-08-04 | — | — | EP | disclosed |