⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4882193 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL8510515 | 0.83 | DNM1 (0.42) | — | |
| SCHEMBL887774 | 0.78 | DNM1 (1.00) | — | |
| Diaminooctane SCHEMBL8650707 | 0.78 | DNM1 (1.00) | — | |
| Diaminooctane SCHEMBL407209 | 0.78 | DNM1 (1.00) | — | |
| SCHEMBL25262966 | 0.78 | DNM1 (1.00) | — | |
| SCHEMBL22283336 | 0.78 | DNM1 (1.00) | — | |
| SCHEMBL22684932 | 0.78 | DNM1 (1.00) | — | |
| SCHEMBL22684930 | 0.78 | DNM1 (1.00) | — | |
| SCHEMBL7189680 | 0.78 | DNM1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0645048-A1 | PREPARATION OF CONTROLLED SIZE INORGANIC PARTICLES FOR USE IN SEPARATIONS, AS MAGNETIC MOLECULAR SWITCHES, AND AS INORGANIC LIPOSOMES FOR MEDICAL APPLICATIONS | BioQuest Incorporated (US) | 1995-03-29 | — | — | EP | claimed |