⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44493 | 0.62 | MEN1 (0.30) | — | |
| SCHEMBL17933518 | 0.60 | — | — | |
| SCHEMBL8052776 | 0.58 | — | — | |
| SCHEMBL762711 | 0.53 | — | — | |
| SCHEMBL6545680 | 0.53 | — | — | |
| SCHEMBL4751280 | 0.50 | — | — | |
| SCHEMBL3659002 | 0.49 | — | — | |
| SCHEMBL1823075 | 0.44 | NOS2 (0.39) | — | |
| SCHEMBL7197761 | 0.44 | — | — | |
| SCHEMBL4131175 | 0.44 | MAPT (0.35) | — |
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-0189690-B1 | SUBSTITUTED AROMATIC SULFONAMIDES, THEIR PREPARATION AND OPHTHALMIC COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1989-03-01 | — | — | EP | disclosed |
| US-4677115-A | Antiglaucoma thieno-thiopyran and thieno-thiepin sulfonamide derivatives, compositions, and method of use thereof | MERCK & CO., INC. (US) | 1987-06-30 | — | — | US | disclosed |
| EP-0189690-A1 | Substituted aromatic sulfonamides, their preparation and ophthalmic compositions containing them | MERCK & CO. INC. (US) | 1986-08-06 | — | — | EP | disclosed |