⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5514858 | 1.00 | — | — | |
| SCHEMBL23728323 | 1.00 | — | — | |
| SCHEMBL18632347 | 0.92 | — | — | |
| SCHEMBL18632348 | 0.92 | — | — | |
| SCHEMBL23529981 | 0.90 | HIF1A (0.39) | — | |
| SCHEMBL28241295 | 0.90 | HIF1A (0.39) | — | |
| SCHEMBL11805843 | 0.83 | — | — | |
| SCHEMBL11805832 | 0.83 | — | — | |
| SCHEMBL17982757 | 0.83 | TSHR (0.45) | — | |
| SCHEMBL17982758 | 0.83 | TSHR (0.45) | — |
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-4532081-A | 2-(6'-cyano-2'-hexynyl)-2-(b,b,b -trichlorocarboethoxy)-3-carbomethoxy cyclopentanone | THE DOW CHEMICAL COMPANY (US) | 1985-07-30 | — | — | US | disclosed |
| US-4447636-A | TRANS-2-B,B,B-TRICHLOROCARBOETHOXY-3 -CARBOMETHOXYCYCLOPENTANONE INTERMEDIATE | THE DOW CHEMICAL COMPANY (US) | 1984-05-08 | — | — | US | disclosed |
| US-4146553-A | Intermediates for synthesizing 11-deoxyprostaglandins | THE DOW CHEMICAL COMPANY (US) | 1979-03-27 | — | — | US | disclosed |
| US-4125556-A | Synthesis of 11-deoxyprostaglandins | THE DOW CHEMICAL COMPANY (US) | 1978-11-14 | — | — | US | disclosed |