⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3402298 | 0.78 | — | — | |
| SCHEMBL30441680 | 0.67 | — | — | |
| SCHEMBL18069709 | 0.67 | — | — | |
| SCHEMBL291625 | 0.63 | — | — | |
| SCHEMBL4634566 | 0.62 | — | — | |
| SCHEMBL27904152 | 0.62 | — | — | |
| SCHEMBL1275406 | 0.60 | — | — | |
| SCHEMBL12593799 | 0.60 | — | — | |
| SCHEMBL8988872 | 0.60 | — | — | |
| SCHEMBL4630012 | 0.59 | — | — |
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-0115979-A1 | Derivatives of 1H,3H-pyrrolo(1,2-c)thiazole, their preparation and pharmaceuticals containing them | RHONE-POULENC SANTE (FR) | 1984-08-15 | — | — | EP | disclosed |