⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19704 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL3903046 | 0.61 | — | — | |
| SCHEMBL8023991 | 0.61 | — | — | |
| SCHEMBL1473263 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL3932348 | 0.61 | — | — | |
| Ammonia Solution, Strong SCHEMBL8850750 | 0.61 | — | — | |
| Ethane SCHEMBL6706965 | 0.55 | — | — | |
| SCHEMBL821493 | 0.55 | — | — | |
| SCHEMBL416901 | 0.50 | — | — | |
| SCHEMBL17933422 | 0.50 | — | — |
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-20150125884-A1 | Magnetic Labeling of Bacteria | THE GENERAL HOSPITAL CORPORATION | 2015-05-07 | — | — | US | disclosed |