⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25460244 | 0.75 | — | — | |
| SCHEMBL21962668 | 0.71 | — | — | |
| SCHEMBL21910580 | 0.69 | PIK3CD (0.37) | — | |
| SCHEMBL6933375 | 0.69 | — | — | |
| SCHEMBL13621437 | 0.69 | — | — | |
| SCHEMBL18239319 | 0.69 | — | — | |
| SCHEMBL12439788 | 0.69 | — | — | |
| SCHEMBL20284333 | 0.69 | — | — | |
| SCHEMBL17378562 | 0.69 | — | — | |
| SCHEMBL55925 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210163447-A1 | TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE | BLACK DIAMOND THERAPEUTICS, INC. | 2021-06-03 | — | — | US | disclosed |
| WO-2018053126-A1 | INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF | VANDERBILT UNIVERSITY (US) | 2018-03-22 | — | — | WO | disclosed |