⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21397112 | 0.91 | — | — | |
| SCHEMBL21397090 | 0.90 | TSPO (0.31) | — | |
| SCHEMBL21396898 | 0.87 | — | — | |
| SCHEMBL21397181 | 0.86 | CYP11B2 (0.33) | — | |
| SCHEMBL21396596 | 0.84 | — | — | |
| SCHEMBL21397081 | 0.83 | PIK3CA (0.30) | — | |
| SCHEMBL21378074 | 0.82 | PTGDR2 (0.33) | — | |
| SCHEMBL21396594 | 0.81 | CYP11B2 (0.30) | — | |
| SCHEMBL21396591 | 0.81 | CYP11B2 (0.30) | — | |
| SCHEMBL21396919 | 0.79 | PDE9A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190292181-A1 | COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES | Kyulux North America, Inc. | 2019-09-26 | — | — | US | disclosed |