⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38271 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL2248708 | 0.89 | — | — | |
| SCHEMBL7650847 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1308530 | 0.84 | — | — | |
| SCHEMBL1309134 | 0.77 | — | — | |
| SCHEMBL14615982 | 0.67 | — | — | |
| Propane SCHEMBL28312584 | 0.67 | — | — | |
| Diethylamine SCHEMBL27543854 | 0.67 | — | — | |
| Diethylamine SCHEMBL2163210 | 0.63 | — | — | |
| Diethylamine SCHEMBL28240786 | 0.63 | — | — |
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-7999025-B2 | Asymmetrically-functionalized nanoparticles organized on one-dimensional chains | UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) | 2011-08-16 | — | — | US | disclosed |