⚠ 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 | |
|---|---|---|---|---|
| Tibo SCHEMBL29424341 | 0.89 | — | — | |
| SCHEMBL7902238 | 0.84 | SIGMAR1 (0.34) | — | |
| SCHEMBL7903484 | 0.84 | SIGMAR1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL8930831 | 0.77 | — | — | |
| Tibo SCHEMBL8013680 | 0.76 | GRIN2D (0.31) | — | |
| Tibo SCHEMBL1077005 | 0.76 | GRIN2D (0.31) | — | |
| Tibo SCHEMBL29623959 | 0.76 | GRIN2D (0.31) | — | |
| SCHEMBL7896188 | 0.69 | SIGMAR1 (0.30) | — | |
| SCHEMBL7484262 | 0.67 | — | — | |
| SCHEMBL7903496 | 0.66 | SIGMAR1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0384522-B1 | Antiviral tetrahydroimidazo[1,4]benzodiazepin-2-thiones | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-13 | — | — | EP | disclosed |