⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21295304 | 1.00 | ALDH1A1 (0.56) | — | |
| SCHEMBL6924030 | 1.00 | ALDH1A1 (0.56) | — | |
| SCHEMBL18528138 | 0.97 | — | — | |
| SCHEMBL7045330 | 0.88 | — | — | |
| SCHEMBL2154814 | 0.85 | TSHR (0.72) | — | |
| SCHEMBL466419 | 0.85 | TSHR (0.72) | — | |
| SCHEMBL7329781 | 0.85 | TSHR (0.72) | — | |
| SCHEMBL495310 | 0.85 | TSHR (0.72) | — | |
| SCHEMBL6057206 | 0.85 | TSHR (0.72) | — | |
| SCHEMBL2154590 | 0.85 | TSHR (0.72) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0943606-A1 | BENZENESULFONAMIDE DERIVATIVES AND DRUGS CONTAINING THE SAME | HOKURIKU SEIYAKU CO., LTD. (JP) | 1999-09-22 | — | — | EP | disclosed |