⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12848852 | 0.82 | DNM1L (0.32) | — | |
| SCHEMBL12848446 | 0.82 | HPGD (0.37) | — | |
| SCHEMBL12848841 | 0.79 | MAPT (0.37) | — | |
| SCHEMBL12848559 | 0.77 | TP53 (0.37) | — | |
| SCHEMBL12848842 | 0.63 | — | — | |
| SCHEMBL4561084 | 0.56 | WDR5 (0.40) | — | |
| SCHEMBL12507539 | 0.55 | F10 (0.58) | — | |
| SCHEMBL1782420 | 0.53 | IL2 (0.41) | — | |
| SCHEMBL14789368 | 0.51 | ATM (0.42) | — | |
| SCHEMBL11161552 | 0.51 | ATM (0.42) | — |
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-20110052643-A1 | COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES | SYNTA PHARMACEUTICALS CORP. (US) | 2011-03-03 | — | — | US | disclosed |