⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9474871 | 1.00 | — | — | |
| SCHEMBL2328494 | 0.74 | — | — | |
| SCHEMBL332982 | 0.74 | — | — | |
| SCHEMBL332983 | 0.74 | — | — | |
| SCHEMBL20825121 | 0.71 | — | — | |
| SCHEMBL9319613 | 0.71 | — | — | |
| SCHEMBL192493 | 0.69 | — | — | |
| SCHEMBL192494 | 0.69 | — | — | |
| SCHEMBL22678730 | 0.67 | — | — | |
| SCHEMBL191976 | 0.65 | THRB (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993013062-A1 | HALOGENATED TETRAENYL PROSTAGLANDIN DERIVATIVES | G.D. SEARLE & CO. (US) | 1993-07-08 | — | — | WO | disclosed |
| US-5177251-A | Cytoprotective, antisecretory, side effect reduction | G. D. SEARLE & CO. (US) | 1993-01-05 | — | — | US | disclosed |