⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1203425 | 1.00 | — | — | |
| SCHEMBL1203424 | 1.00 | — | — | |
| SCHEMBL6708068 | 0.87 | GAA (0.57) | — | |
| SCHEMBL6647774 | 0.87 | GAA (0.57) | — | |
| SCHEMBL27558896 | 0.85 | MGAM (0.44) | — | |
| SCHEMBL10580042 | 0.82 | DGKA (0.42) | — | |
| SCHEMBL8196636 | 0.82 | DGKA (0.42) | — | |
| SCHEMBL9579787 | 0.82 | DGKA (0.42) | — | |
| SCHEMBL148959 | 0.81 | NR1I2 (0.53) | — | |
| SCHEMBL148958 | 0.81 | NR1I2 (0.53) | — |
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-20180118770-A1 | N-Heterocyclic Phosphines | THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS | 2018-05-03 | — | — | US | disclosed |