⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12848743 | 0.82 | — | — | |
| SCHEMBL12848903 | 0.81 | TRPV1 (0.39) | — | |
| SCHEMBL12848849 | 0.81 | HTR1F (0.40) | — | |
| SCHEMBL12848737 | 0.65 | ALOX15 (0.31) | — | |
| SCHEMBL12848456 | 0.63 | — | — | |
| SCHEMBL12848559 | 0.62 | TP53 (0.37) | — | |
| SCHEMBL4999489 | 0.62 | HDAC4 (0.35) | — | |
| SCHEMBL5019623 | 0.61 | PTPN11 (0.34) | — | |
| SCHEMBL3825366 | 0.60 | IL2 (0.44) | — | |
| SCHEMBL3826508 | 0.60 | KMT2A (0.47) | — |
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-20110052643-A1 | COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP. (US) | 2011-03-03 | — | — | US | disclosed |
| WO-2009089305-A1 | COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP. (US) | 2009-07-16 | — | — | WO | disclosed |