⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16253662 | 0.85 | — | — | |
| SCHEMBL17761938 | 0.83 | PTGS2 (0.42) | — | |
| SCHEMBL17761940 | 0.78 | RARG (0.34) | — | |
| SCHEMBL17761944 | 0.78 | ACHE (0.36) | — | |
| SCHEMBL16253657 | 0.77 | PTGS2 (0.37) | — | |
| SCHEMBL17761704 | 0.77 | LTA4H (0.39) | — | |
| SCHEMBL17762166 | 0.76 | — | — | |
| SCHEMBL15002478 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL17761939 | 0.74 | NPBWR1 (0.31) | — | |
| SCHEMBL15088339 | 0.73 | — | — |
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-20160137777-A1 | CATALYSTS AND METHODS FOR POLYMER SYNTHESIS | SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) | 2016-05-19 | — | — | US | disclosed |