⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21472969 | 0.96 | ALDH1A1 (0.31) | — | |
| SCHEMBL21472988 | 0.93 | PRKDC (0.33) | — | |
| SCHEMBL21472962 | 0.89 | POLB (0.31) | — | |
| SCHEMBL21461880 | 0.87 | MAPK14 (0.34) | — | |
| SCHEMBL21472987 | 0.87 | CDK4 (0.35) | — | |
| SCHEMBL21472974 | 0.85 | GSTP1 (0.38) | — | |
| SCHEMBL21473026 | 0.83 | TSPO (0.30) | — | |
| SCHEMBL21472958 | 0.82 | HSP90AA1 (0.33) | — | |
| SCHEMBL21473028 | 0.82 | TSPO (0.32) | — | |
| SCHEMBL21473045 | 0.82 | KDM4E (0.32) | — |
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-20190315759-A1 | HOST MATERIALS FOR ELECTROLUMINESCENT DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2019-10-17 | — | — | US | disclosed |