⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50770 | 0.96 | — | — | |
| Methane SCHEMBL27926612 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27453844 | 0.92 | — | — | |
| Ethane SCHEMBL7025474 | 0.88 | — | — | |
| Propane SCHEMBL7031062 | 0.82 | — | — | |
| SCHEMBL29802306 | 0.72 | — | — | |
| SCHEMBL14764116 | 0.71 | — | — | |
| SCHEMBL28017432 | 0.69 | — | — | |
| SCHEMBL1735062 | 0.69 | — | — | |
| Vinylsulfonic Acid SCHEMBL15509340 | 0.67 | — | — |
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-1041361-A | The preparation of b-sulfonamide derivative | ORTHO PHARMA CORP (US) | 1990-04-18 | — | — | CN | disclosed |