⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21397106 | 1.00 | — | — | |
| SCHEMBL21396837 | 0.91 | TRPV1 (0.33) | — | |
| SCHEMBL21378052 | 0.90 | NRP1 (0.33) | — | |
| SCHEMBL21396590 | 0.90 | PDE1C (0.34) | — | |
| SCHEMBL21396594 | 0.89 | CYP11B2 (0.30) | — | |
| SCHEMBL21396591 | 0.87 | CYP11B2 (0.30) | — | |
| SCHEMBL21396593 | 0.83 | KDR (0.30) | — | |
| SCHEMBL21377984 | 0.82 | PDE9A (0.32) | — | |
| SCHEMBL21378075 | 0.82 | PDE1C (0.35) | — | |
| SCHEMBL22036391 | 0.79 | NRP1 (0.39) | — |
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 |