⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22415126 | 0.87 | — | — | |
| SCHEMBL23253991 | 0.61 | — | — | |
| SCHEMBL21531573 | 0.59 | HTR6 (0.37) | — | |
| SCHEMBL21444765 | 0.59 | — | — | |
| SCHEMBL21154987 | 0.58 | CYP19A1 (0.44) | — | |
| SCHEMBL10946904 | 0.57 | POLB (0.52) | — | |
| SCHEMBL21779797 | 0.57 | HTR6 (0.37) | — | |
| SCHEMBL21665585 | 0.57 | — | — | |
| SCHEMBL2211047 | 0.56 | POLB (0.50) | — | |
| SCHEMBL1259716 | 0.55 | POLB (0.54) | — |
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-3663308-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2020-06-10 | — | — | EP | disclosed |