⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL460374 | 0.67 | — | — | |
| Water SCHEMBL459876 | 0.62 | — | — | |
| SCHEMBL325170 | 0.61 | — | — | |
| SCHEMBL1156928 | 0.55 | — | — | |
| SCHEMBL9535697 | 0.55 | — | — | |
| SCHEMBL13555402 | 0.55 | — | — | |
| Hydrogen Sulfide SCHEMBL7784683 | 0.55 | — | — | |
| Formaldoxime SCHEMBL7264705 | 0.50 | — | — | |
| Nitrous Acid SCHEMBL10526485 | 0.50 | — | — | |
| Nitrous Acid SCHEMBL20212027 | 0.50 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0118321-B1 | HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC SANTE (FR) | 1986-12-17 | — | — | EP | claimed |
| EP-1174028-A1 | SULFONAMIDE DERIVATIVES | Takeda Chemical Industries, Ltd. (JP) | 2002-01-23 | — | — | EP | disclosed |