⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13474023 | 0.60 | TDP1 (0.31) | — | |
| SCHEMBL11977450 | 0.59 | — | — | |
| SCHEMBL2706443 | 0.58 | CA1 (0.32) | — | |
| SCHEMBL13185720 | 0.58 | BRD4 (0.32) | — | |
| SCHEMBL14207200 | 0.57 | — | — | |
| SCHEMBL10189183 | 0.56 | — | — | |
| SCHEMBL11213022 | 0.56 | — | — | |
| SCHEMBL2589239 | 0.56 | — | — | |
| SCHEMBL8666055 | 0.56 | ALDH1A1 (0.31) | — | |
| SCHEMBL14123791 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3219709-A1 | INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-20 | — | — | EP | disclosed |
| US-20120059012-A1 | 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2012-03-08 | — | — | US | disclosed |