⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9199139 | 0.81 | — | — | |
| SCHEMBL9871779 | 0.77 | — | — | |
| SCHEMBL9752492 | 0.68 | HDAC6 (0.30) | — | |
| SCHEMBL6596902 | 0.67 | — | — | |
| SCHEMBL10430384 | 0.66 | — | — | |
| SCHEMBL9197366 | 0.65 | — | — | |
| SCHEMBL30301543 | 0.61 | NR1H2 (0.40) | — | |
| SCHEMBL4394294 | 0.61 | CTSK (0.31) | — | |
| SCHEMBL15806461 | 0.61 | HCRTR2 (0.36) | — | |
| SCHEMBL30842394 | 0.60 | HDAC1 (0.38) | — |
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-0360293-B1 | Process for the preparation of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines | LONZA AG (CH) | 1995-08-30 | — | — | EP | disclosed |