⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8159671 | 0.73 | — | — | |
| SCHEMBL28800920 | 0.69 | — | — | |
| SCHEMBL7247219 | 0.64 | — | — | |
| SCHEMBL13531791 | 0.63 | — | — | |
| SCHEMBL323174 | 0.63 | — | — | |
| SCHEMBL11917809 | 0.63 | — | — | |
| SCHEMBL1060395 | 0.63 | — | — | |
| SCHEMBL7545482 | 0.61 | SLC6A2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL27502631 | 0.61 | — | — | |
| Nitrous Acid SCHEMBL11801048 | 0.61 | SLC6A2 (0.39) | — |
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-6632975-B1 | Injecting diethylnitrosamine and administering nitrosomorpholine in the drinking water of the animal; drug screening | KABUSHIKI KAISHA DAIYU-KAI INSTITUTE OF MEDICAL SCIENCE (JP) | 2003-10-14 | — | — | US | disclosed |