⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL271084 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL7489585 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL276651 | 0.72 | — | — | |
| SCHEMBL270857 | 0.71 | — | — | |
| SCHEMBL269505 | 0.70 | — | — | |
| SCHEMBL271193 | 0.68 | — | — | |
| SCHEMBL18745628 | 0.67 | — | — | |
| SCHEMBL20099578 | 0.67 | — | — | |
| SCHEMBL497668 | 0.67 | CA1 (0.31) | — | |
| SCHEMBL20431909 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1506169-A1 | METHOD FOR THE PRODUCTION OF SULPHAMIC ACID HALOGENIDES | BASF AKTIENGESELLSCHAFT (DE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097589-A1 | METHOD FOR THE PRODUCTION OF SULPHAMIC ACID HALOGENIDES | BASF AKTIENGESELLSCHAFT (DE) | 2003-11-27 | — | — | WO | disclosed |