⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11105090 | 0.83 | ALDH1A1 (0.56) | — | |
| SCHEMBL11105098 | 0.83 | ALDH1A1 (0.56) | — | |
| SCHEMBL3504045 | 0.75 | — | — | |
| SCHEMBL319417 | 0.75 | — | — | |
| SCHEMBL17503297 | 0.75 | — | — | |
| SCHEMBL17503298 | 0.75 | — | — | |
| SCHEMBL319416 | 0.75 | — | — | |
| SCHEMBL14142895 | 0.73 | — | — | |
| SCHEMBL13524871 | 0.73 | — | — | |
| SCHEMBL10024502 | 0.73 | — | — |
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-2017029498-A1 | 2-SULFONYLPYRIMIDINES | MEDICAL RESEARCH COUNCIL (GB) | 2017-02-23 | — | — | WO | disclosed |
| EP-1964859-A1 | A porous linear polymer composition | Rohm and Haas Company (US) | 2008-09-03 | — | — | EP | disclosed |