⚠ 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 | |
|---|---|---|---|---|
| Ethyne SCHEMBL29290939 | 0.87 | — | — | |
| Ethyne SCHEMBL5311661 | 0.87 | — | — | |
| Ethyne SCHEMBL27727781 | 0.87 | — | — | |
| Ethyne SCHEMBL28017792 | 0.87 | — | — | |
| Ethyne SCHEMBL22730119 | 0.87 | — | — | |
| Ethyne SCHEMBL29004863 | 0.87 | — | — | |
| Ethyne SCHEMBL916710 | 0.87 | — | — | |
| Ethyne SCHEMBL263444 | 0.87 | — | — | |
| Ethyne SCHEMBL7510234 | 0.75 | — | — | |
| Ethyne SCHEMBL11857679 | 0.75 | — | — |
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 |