⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29217326 | 0.78 | — | — | |
| SCHEMBL21436872 | 0.78 | — | — | |
| SCHEMBL2828386 | 0.76 | — | — | |
| SCHEMBL7940405 | 0.74 | — | — | |
| SCHEMBL10112966 | 0.74 | — | — | |
| SCHEMBL28365606 | 0.72 | — | — | |
| SCHEMBL31429838 | 0.71 | — | — | |
| SCHEMBL8506756 | 0.71 | — | — | |
| SCHEMBL14271692 | 0.70 | NCF1 (0.41) | — | |
| SCHEMBL1186851 | 0.69 | GABRP (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019195063-A1 | AZA-BENZOTHIOPHENE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2019-10-10 | — | — | WO | disclosed |
| WO-2013020024-A2 | MALEIMIDE COMPOUNDS AND METHODS OF TREATMENT | KARYOPHARM THERAPEUTICS, INC. (US) | 2013-02-07 | — | — | WO | disclosed |
| WO-2012065062-A1 | NOVEL ANTIVIRAL COMPOUNDS | PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) | 2012-05-18 | — | — | WO | disclosed |