⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8793550 | 0.68 | — | — | |
| SCHEMBL8793891 | 0.59 | KMT2A (0.31) | — | |
| SCHEMBL10511807 | 0.58 | CA2 (0.42) | — | |
| SCHEMBL4573189 | 0.57 | GRIN2B (0.33) | — | |
| SCHEMBL11826258 | 0.56 | ALDH1A1 (0.42) | — | |
| SCHEMBL11826262 | 0.56 | ALDH1A1 (0.42) | — | |
| SCHEMBL12970660 | 0.55 | LMNA (0.40) | — | |
| SCHEMBL8572412 | 0.54 | GSK3B (0.55) | — | |
| SCHEMBL11533430 | 0.53 | HPGD (0.40) | — | |
| SCHEMBL15095812 | 0.53 | HDAC3 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0452151-B1 | Substituted aromatic sulfonamides as antiglaucoma agents | MERCK & CO INC (US) | 1997-07-16 | — | — | EP | disclosed |
| US-5308863-A | Carbonic anhydrase inhibitors | MERCK & CO., INC. (US) | 1994-05-03 | — | — | US | disclosed |
| EP-0452151-A1 | Substituted aromatic sulfonamides as antiglaucoma agents | MERCK & CO. INC. (US) | 1991-10-16 | — | — | EP | disclosed |