⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9034778 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL6934247 | 0.67 | MMP2 (0.36) | — | |
| SCHEMBL22882257 | 0.67 | TRPA1 (0.31) | — | |
| SCHEMBL22780547 | 0.67 | BACE1 (0.32) | — | |
| SCHEMBL11760640 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL9013702 | 0.61 | LMNA (0.38) | — | |
| Hydrochloric Acid SCHEMBL2461990 | 0.59 | ALDH1A1 (0.37) | — | |
| SCHEMBL23640821 | 0.59 | BACE1 (0.34) | — | |
| SCHEMBL25098737 | 0.58 | MEN1 (0.37) | — | |
| SCHEMBL3504486 | 0.58 | BACE1 (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-3772517-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME, AND DIAGNOSTIC COMPOSITION INCLUDING SAME | Samsung Electronics Co., Ltd. (KR) | 2021-02-10 | — | — | EP | disclosed |