⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25150498 | 0.78 | — | — | |
| SCHEMBL5736865 | 0.72 | ALDH1A1 (0.38) | — | |
| SCHEMBL9474580 | 0.72 | CYP2A6 (0.39) | — | |
| SCHEMBL9829325 | 0.70 | ALDH1A1 (0.42) | — | |
| SCHEMBL645134 | 0.70 | — | — | |
| SCHEMBL3964358 | 0.70 | PTGS1 (0.37) | — | |
| SCHEMBL9528983 | 0.70 | CYP1A2 (0.42) | — | |
| SCHEMBL9431644 | 0.69 | KMT2A (0.51) | — | |
| SCHEMBL1419542 | 0.69 | CYP2A6 (0.45) | — | |
| SCHEMBL16186484 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0483027-A2 | Triazolopyridazines, methods for their preparation, their use as herbicides and intermediates | RHONE-POULENC AGROCHIMIE (FR) | 1992-04-29 | — | — | EP | disclosed |
| US-4929637-A | CARBONIC ANHYDRASE INHIBITORS, VISION DEFECTS | MERCK & CO., INC. (US) | 1990-05-29 | — | — | US | disclosed |
| EP-0228237-B1 | SUBSTITUTED THIOPHENE-2-SULFONAMIDE ANTIGLAUCOMA AGENTS | MERCK & CO. INC. (US) | 1989-11-23 | — | — | EP | disclosed |
| EP-0228237-A1 | Substituted thiophene-2-sulfonamide antiglaucoma agents | MERCK & CO. INC. (US) | 1987-07-08 | — | — | EP | disclosed |