⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24380485 | 1.00 | — | — | |
| SCHEMBL10203668 | 0.72 | HSD11B1 (0.31) | — | |
| SCHEMBL21698294 | 0.71 | MAOB (0.37) | — | |
| SCHEMBL22477440 | 0.68 | — | — | |
| SCHEMBL10063327 | 0.67 | CHRM2 (0.31) | — | |
| SCHEMBL22767870 | 0.67 | CYP2C19 (0.40) | — | |
| SCHEMBL27455298 | 0.66 | — | — | |
| SCHEMBL23507915 | 0.66 | CYP19A1 (0.47) | — | |
| SCHEMBL13078437 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL21154987 | 0.65 | CYP19A1 (0.44) | — |
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 |