⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2530271 | 0.73 | — | — | |
| SCHEMBL24800406 | 0.70 | HDAC8 (0.42) | — | |
| SCHEMBL5270757 | 0.70 | HDAC8 (0.34) | — | |
| SCHEMBL31536252 | 0.67 | TGFBR1 (0.37) | — | |
| SCHEMBL20052502 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL14881912 | 0.65 | KDM1A (0.53) | — | |
| Hydrochloric Acid SCHEMBL14881913 | 0.65 | KDM1A (0.53) | — | |
| SCHEMBL27704118 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27035814 | 0.64 | KDM1A (0.55) | — | |
| SCHEMBL5783757 | 0.64 | KDM1A (0.51) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0915847-A4 | SUBSTITUTED SULFONAMIDES AS SELECTIVE BETA3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY | MERCK & CO INC (US) | 2001-01-17 | — | — | EP | disclosed |
| EP-0915847-A1 | SUBSTITUTED SULFONAMIDES AS SELECTIVE BETA3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY | Merck & Co., Inc. (US) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998004526-A1 | SUBSTITUTED SULFONAMIDES AS SELECTIVE β3 AGONISTS FOR THE TREATMENT OF DIABETES AND OBESITY | MERCK & CO., INC. (US) | 1998-02-05 | — | — | WO | disclosed |
| US-5705515-A | HAVING REDUCED SIDE EFFECTS | MERCK & CO., INC. (US) | 1998-01-06 | — | — | US | disclosed |