⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL487315 | 0.81 | — | — | |
| SCHEMBL28967146 | 0.73 | — | — | |
| SCHEMBL6812735 | 0.71 | — | — | |
| SCHEMBL27179298 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL8825068 | 0.71 | — | — | |
| SCHEMBL31207366 | 0.69 | — | — | |
| SCHEMBL29272740 | 0.69 | — | — | |
| SCHEMBL163658 | 0.67 | — | — | |
| SCHEMBL28395437 | 0.65 | — | — | |
| SCHEMBL28247106 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102796081-B | Pyrimidine sulphonamide derivatives as chemokine receptor modulators | ASTRAZENECA AB | 2015-04-22 | — | — | CN | disclosed |
| CN-102796081-A | Pyrimidine sulphonamide derivatives as chemokine receptor modulators | ASTRAZENECA AB | 2012-11-28 | — | — | CN | disclosed |
| CN-101048401-B | Pyrimidine sulfonamide derivatives as chemokine receptor modulators | ASTRAZENECA AB | 2012-09-12 | — | — | CN | disclosed |
| CN-101048401-A | Pyrimidine sulfonamide derivatives as chemokine receptor modulators | ASTRAZENECA AB (SE) | 2007-10-03 | — | — | CN | disclosed |