⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21393353 | 0.78 | — | — | |
| SCHEMBL21771497 | 0.75 | ALDH1A1 (0.31) | — | |
| Urea SCHEMBL29052984 | 0.74 | ALDH1A1 (0.45) | — | |
| Acrylamide SCHEMBL27459142 | 0.72 | TSHR (0.58) | — | |
| Bicarbonate SCHEMBL27619866 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL20969491 | 0.70 | ALDH1A1 (0.41) | — | |
| Acrylamide SCHEMBL28111111 | 0.70 | TSHR (0.55) | — | |
| SCHEMBL18595352 | 0.70 | — | — | |
| SCHEMBL464885 | 0.69 | — | — | |
| SCHEMBL132807 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012062905-A2 | CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) | 2012-05-18 | — | — | WO | disclosed |
| WO-2012062901-A2 | CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) | 2012-05-18 | — | — | WO | disclosed |