⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL152198 | 0.80 | — | — | |
| Trimethylammonium SCHEMBL27558358 | 0.80 | — | — | |
| Butane SCHEMBL1285332 | 0.76 | — | — | |
| SCHEMBL137063 | 0.74 | — | — | |
| SCHEMBL5573210 | 0.74 | — | — | |
| SCHEMBL49968 | 0.74 | — | — | |
| Alcohol SCHEMBL11770302 | 0.70 | — | — | |
| Hexane SCHEMBL272768 | 0.70 | TSHR (0.54) | — | |
| SCHEMBL23120283 | 0.68 | — | — | |
| Methane SCHEMBL5164087 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5516662-A | Process for the preparation of headgroup-modified phospholipids using phosphatidylhydroxyalkanols as intermediates | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1996-05-14 | — | — | US | disclosed |
| US-5441876-A | Process for the preparation of headgroup-modified phospholipids using phosphatidylhydroxyalkanols as intermediates | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1995-08-15 | — | — | US | disclosed |