⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21377065 | 0.69 | — | — | |
| SCHEMBL20553982 | 0.69 | — | — | |
| SCHEMBL12827623 | 0.69 | — | — | |
| SCHEMBL13654456 | 0.69 | — | — | |
| SCHEMBL7888260 | 0.69 | — | — | |
| SCHEMBL24249403 | 0.69 | — | — | |
| SCHEMBL23591853 | 0.66 | — | — | |
| SCHEMBL3338855 | 0.65 | — | — | |
| SCHEMBL21229617 | 0.63 | — | — | |
| SCHEMBL6511612 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018053126-A1 | INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF | VANDERBILT UNIVERSITY (US) | 2018-03-22 | — | — | WO | disclosed |