⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL69145 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL11146876 | 0.72 | CPA1 (0.32) | — | |
| SCHEMBL4093135 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL29151937 | 0.66 | TSHR (0.30) | — | |
| SCHEMBL9452681 | 0.66 | ALDH1A1 (0.44) | — | |
| SCHEMBL16500020 | 0.65 | — | — | |
| SCHEMBL2502959 | 0.64 | TSHR (0.47) | — | |
| SCHEMBL9452597 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL3287326 | 0.64 | ALDH1A1 (0.37) | — | |
| SCHEMBL11809043 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4453021-A | Dinitropropyl fluorodinitroethyl formal plasticizer and method of preparation | THE UNITED STATES OF AMERICAAS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 1984-06-05 | — | — | US | disclosed |