⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18470429 | 0.77 | — | — | |
| SCHEMBL13123926 | 0.75 | TRPA1 (0.31) | — | |
| SCHEMBL9067621 | 0.74 | — | — | |
| SCHEMBL18709590 | 0.70 | — | — | |
| SCHEMBL5567978 | 0.70 | — | — | |
| SCHEMBL10599448 | 0.69 | — | — | |
| SCHEMBL20376212 | 0.67 | — | — | |
| SCHEMBL777984 | 0.67 | — | — | |
| SCHEMBL777983 | 0.67 | — | — | |
| SCHEMBL19115437 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230212164-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2023-07-06 | — | — | US | disclosed |
| EP-3150600-A1 | DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR | Medshine Discovery Inc. (CN) | 2017-04-05 | — | — | EP | disclosed |