⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1069868 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL16819008 | 0.73 | — | — | |
| Hydrogen Sulfide SCHEMBL2191017 | 0.73 | — | — | |
| Iodide SCHEMBL3902826 | 0.73 | — | — | |
| Bromide SCHEMBL1558920 | 0.73 | — | — | |
| Water SCHEMBL7123803 | 0.73 | — | — | |
| Ethyne SCHEMBL263444 | 0.71 | — | — | |
| SCHEMBL4929 | 0.71 | — | — | |
| Ethyne SCHEMBL5311661 | 0.71 | — | — | |
| Hydrogen Peroxide SCHEMBL5962517 | 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 |
|---|---|---|---|---|---|---|---|
| US-4563537-A | INHIBITORS OF THROMBOXANE SYNTHETASE | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 1986-01-07 | — | — | US | disclosed |
| US-4520207-A | REACTING THE ADDITION PRODUCT OF A THIENYLPALLADIUM COMPLEX AND BICYCLIC OLEFIN WITH A LITHIUM ACETYLIDE | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 1985-05-28 | — | — | US | disclosed |
| US-4436934-A | SYNERGISTIC COMBINATION WITH ANAGRELIDE; THROMBOXANE SYNTHETASE INHIBITORS | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 1984-03-13 | — | — | US | disclosed |
| US-4351949-A | Bicyclic prostaglandin analogs and method of synthesis | IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 1982-09-28 | — | — | US | disclosed |