⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL472871 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL11048878 | 0.83 | — | — | |
| SCHEMBL27858829 | 0.83 | — | — | |
| SCHEMBL27444047 | 0.83 | — | — | |
| Ethylene SCHEMBL27304002 | 0.80 | — | — | |
| Benzene SCHEMBL28446162 | 0.80 | — | — | |
| Methylamine SCHEMBL27476913 | 0.80 | — | — | |
| Acetone SCHEMBL27433165 | 0.79 | CYP3A4 (0.31) | — | |
| Propane SCHEMBL28563778 | 0.78 | — | — | |
| Acetic Acid SCHEMBL28157557 | 0.77 | CYP3A4 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101511783-A | N-biaryl (hetero) arylsulphonamide derivatives useful in the treatment of diseases mediated by lymphocytes interactions | NOVARTIS AG (CH) | 2009-08-19 | — | — | CN | disclosed |