⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5502240 | 1.00 | — | — | |
| SCHEMBL31427532 | 0.80 | — | — | |
| SCHEMBL2100467 | 0.80 | — | — | |
| Acetic Acid SCHEMBL570874 | 0.75 | TP53 (0.32) | — | |
| SCHEMBL5617631 | 0.73 | — | — | |
| SCHEMBL5521959 | 0.73 | — | — | |
| SCHEMBL3716413 | 0.73 | — | — | |
| SCHEMBL28196253 | 0.72 | — | — | |
| SCHEMBL1652664 | 0.71 | — | — | |
| SCHEMBL2592056 | 0.69 | ALDH1A1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111433202-A | 1- (4- (isoxazol-5-yl) -1H-pyrazol-1-yl) -2-methylpropan-2-ol derivatives and related compounds as I L-17 and IFN-gamma inhibitors for the treatment of autoimmune diseases and chronic inflammation | 埃慕尼克股份公司 | 2020-07-17 | — | — | CN | disclosed |
| EP-1751287-A2 | IMPROVED 2-DEOXY-D-RIBOSE 5-PHOSPHATE ALDOLASES (DERAS) AND THE USES THEREOF | DSMIP Assets B.V. (NL) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005118794-A2 | IMPROVED 2-DEOXY-D-RIBOSE 5-PHOSPHATE ALDOLASES (DERAS) AND THE USES THEREOF | DSM IP ASSETS B.V. (NL) | 2005-12-15 | — | — | WO | disclosed |