⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1685388 | 0.92 | PIK3R1 (0.30) | — | |
| SCHEMBL1684099 | 0.91 | PIK3R1 (0.30) | — | |
| SCHEMBL1682979 | 0.85 | — | — | |
| SCHEMBL10235357 | 0.84 | — | — | |
| SCHEMBL1684097 | 0.84 | — | — | |
| SCHEMBL10237722 | 0.84 | — | — | |
| SCHEMBL1682978 | 0.83 | GAK (0.32) | — | |
| SCHEMBL1684969 | 0.83 | ABL1 (0.36) | — | |
| SCHEMBL1283033 | 0.77 | RET (0.32) | — | |
| SCHEMBL1282944 | 0.76 | ABL1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012045124-A1 | BACTERIA TOPOISOMERASE II INHIBITING 2-ETHYLCARBAMOYLAMINO-1, 3-BENZOTHIAZOL-5-YLS | BIOTA EUROPE LTD (GB) | 2012-04-12 | — | — | WO | disclosed |