⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20308136 | 0.66 | GPR3 (0.36) | — | |
| SCHEMBL18861969 | 0.60 | — | — | |
| SCHEMBL21654357 | 0.59 | — | — | |
| SCHEMBL24992581 | 0.56 | — | — | |
| SCHEMBL21895264 | 0.54 | GPR3 (0.43) | — | |
| SCHEMBL19132671 | 0.53 | ALDH1A1 (0.42) | — | |
| SCHEMBL18807622 | 0.53 | — | — | |
| SCHEMBL24282182 | 0.52 | — | — | |
| SCHEMBL23939374 | 0.52 | — | — | |
| SCHEMBL14993107 | 0.49 | L3MBTL1 (0.35) | — |
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-3904363-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2021-11-03 | — | — | EP | disclosed |