⚠ 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 | |
|---|---|---|---|---|
| Cycloheptanamine SCHEMBL27746259 | 0.72 | ALDH1A1 (0.36) | — | |
| Cyclohexylamine SCHEMBL1787821 | 0.72 | ALDH1A1 (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL3043598 | 0.70 | MMP8 (0.33) | — | |
| SCHEMBL5673532 | 0.67 | ALDH1A1 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL15542387 | 0.66 | GABRA1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL28132599 | 0.66 | CPB2 (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL3708706 | 0.64 | OAT (0.34) | — | |
| SCHEMBL14737505 | 0.64 | — | — | |
| Trifluoroacetic Acid SCHEMBL3025153 | 0.64 | OAT (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL14743994 | 0.64 | DPP4 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200331903-A1 | 3-(5-AMINO-PYRAZIN-2-YL)-BENZENESULFONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS PI3K-GAMMA KINASE INHIBITORS FOR TREATING E.G. CANCER | INCYTE CORPORATION | 2020-10-22 | — | — | US | disclosed |