⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24746377 | 1.00 | — | — | |
| SCHEMBL21217080 | 0.69 | — | — | |
| SCHEMBL17787798 | 0.69 | — | — | |
| SCHEMBL22211422 | 0.69 | — | — | |
| SCHEMBL25460244 | 0.69 | — | — | |
| SCHEMBL23519569 | 0.69 | — | — | |
| SCHEMBL22878455 | 0.69 | — | — | |
| SCHEMBL24192889 | 0.69 | — | — | |
| SCHEMBL21360468 | 0.69 | — | — | |
| SCHEMBL17057342 | 0.69 | — | — |
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-20230118688-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2023-04-20 | — | — | US | disclosed |
| WO-2018053126-A1 | INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF | VANDERBILT UNIVERSITY (US) | 2018-03-22 | — | — | WO | disclosed |