⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13908072 | 0.76 | PLAU (0.36) | — | |
| SCHEMBL13908074 | 0.73 | LMNA (0.40) | — | |
| SCHEMBL2964352 | 0.66 | HSD17B2 (0.52) | — | |
| SCHEMBL12955953 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL2978396 | 0.65 | CCR9 (0.43) | — | |
| SCHEMBL1660986 | 0.64 | HTR1D (0.46) | — | |
| SCHEMBL2969082 | 0.62 | HSD17B2 (0.55) | — | |
| SCHEMBL2977908 | 0.61 | HSD17B2 (0.50) | — | |
| SCHEMBL2977412 | 0.61 | CCR9 (0.51) | — | |
| SCHEMBL2969998 | 0.61 | HSD17B2 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009038847-A1 | N-(2-(HETARYL)ARYL)ARYLSULFONAMIDES AND N-(2-(HETARYL)HETARYL)ARYLSULFONAMIDES | CHEMOCENTRYX, INC. (US) | 2009-03-26 | — | — | WO | disclosed |