⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5863474 | 0.69 | — | — | |
| SCHEMBL28838436 | 0.49 | TSHR (0.42) | — | |
| Tetrylammonium SCHEMBL36889 | 0.47 | TSHR (0.57) | — | |
| SCHEMBL11333797 | 0.47 | TSHR (0.47) | — | |
| Benzene SCHEMBL27507219 | 0.47 | TSHR (0.40) | — | |
| Diethyl Sulfide SCHEMBL6281872 | 0.46 | TSHR (0.44) | — | |
| SCHEMBL8199990 | 0.46 | TSHR (0.44) | — | |
| SCHEMBL27344254 | 0.46 | — | — | |
| SCHEMBL4256976 | 0.46 | TSHR (0.44) | — | |
| SCHEMBL8193224 | 0.46 | TSHR (0.44) | — |
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-7473784-B2 | Benzothiazole and azabenzothiazole compounds useful as kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-06 | — | — | US | disclosed |