⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9732229 | 0.85 | — | — | |
| SCHEMBL9732837 | 0.78 | TBXAS1 (0.49) | — | |
| SCHEMBL31626072 | 0.76 | CYP4F2 (0.37) | — | |
| SCHEMBL7071668 | 0.74 | DUT (0.35) | — | |
| SCHEMBL9733096 | 0.73 | TBXAS1 (0.41) | — | |
| SCHEMBL9627836 | 0.71 | ZDHHC7 (0.36) | — | |
| SCHEMBL8842623 | 0.70 | ZDHHC7 (0.53) | — | |
| SCHEMBL31644643 | 0.69 | DUT (0.35) | — | |
| SCHEMBL31644831 | 0.69 | DUT (0.35) | — | |
| SCHEMBL31647453 | 0.69 | DUT (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 |
|---|---|---|---|---|---|---|---|
| US-5153214-A | Treating cardiovascular disorders | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| US-5025025-A | Cardiovascular disorders | CIBA-GEIGY CORPORATION (US) | 1991-06-18 | — | — | US | disclosed |
| EP-0405391-A1 | Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof | CIBA-GEIGY AG (CH) | 1991-01-02 | — | — | EP | disclosed |