⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9490210 | 0.67 | GAA (0.31) | — | |
| SCHEMBL5579261 | 0.65 | POLB (0.31) | — | |
| SCHEMBL680132 | 0.65 | — | — | |
| SCHEMBL9520452 | 0.65 | — | — | |
| SCHEMBL7248707 | 0.62 | — | — | |
| SCHEMBL2634417 | 0.62 | SMN1; SMN2 (0.32) | — | |
| Formamide SCHEMBL16581449 | 0.61 | — | — | |
| SCHEMBL7621662 | 0.60 | — | — | |
| SCHEMBL28097773 | 0.60 | — | — | |
| SCHEMBL11120860 | 0.59 | — | — |
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 |