⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28008535 | 0.80 | — | — | |
| SCHEMBL9934651 | 0.77 | PDE2A (0.32) | — | |
| SCHEMBL12004131 | 0.76 | — | — | |
| SCHEMBL28035478 | 0.75 | EPHX2 (0.31) | — | |
| SCHEMBL9935244 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL9934947 | 0.74 | PDK2 (0.38) | — | |
| SCHEMBL9935516 | 0.73 | TP53 (0.37) | — | |
| SCHEMBL9935571 | 0.73 | PDK2 (0.39) | — | |
| SCHEMBL9934782 | 0.73 | — | — | |
| SCHEMBL28008533 | 0.72 | CNR1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104710381-A | Novel 3-hydroxy-5-arylisothiazole derivative | MOCHIDA PHARM CO LTD | 2015-06-17 | — | — | CN | disclosed |
| CN-102712610-B | Novel 3-hydroxy-5-arylisothiazole derivatives | MOCHIDA PHARM CO LTD | 2015-03-04 | — | — | CN | disclosed |