⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9001946 | 0.92 | NR1D1 (0.31) | — | |
| SCHEMBL8061791 | 0.92 | NR1D1 (0.31) | — | |
| SCHEMBL10092572 | 0.80 | — | — | |
| SCHEMBL8256157 | 0.80 | — | — | |
| SCHEMBL5957310 | 0.78 | CYP2D6 (0.33) | — | |
| SCHEMBL14328848 | 0.77 | — | — | |
| SCHEMBL12298229 | 0.74 | — | — | |
| SCHEMBL8061701 | 0.74 | NR1D1 (0.31) | — | |
| SCHEMBL14439275 | 0.74 | NR1D1 (0.31) | — | |
| SCHEMBL6153982 | 0.74 | CPB2 (0.31) | — |
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-20160016979-A1 | PROCESS FOR MANUFACTURE OF GADOFOSVESET TRISODIUM MONOHYDRATE | CITIZENS BANK, N.A. | 2016-01-21 | — | — | US | disclosed |