⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28373056 | 0.97 | — | — | |
| SCHEMBL3871336 | 0.81 | — | — | |
| SCHEMBL42130 | 0.73 | — | — | |
| SCHEMBL779252 | 0.71 | — | — | |
| SCHEMBL21054452 | 0.71 | — | — | |
| SCHEMBL2882818 | 0.71 | — | — | |
| SCHEMBL9077931 | 0.70 | CA1 (0.39) | — | |
| SCHEMBL242031 | 0.70 | — | — | |
| SCHEMBL1158148 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL17258785 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103083353-B | Containing the antimicrobial lock solution of 2-amino-ethyl sulfamide derivative and the acceptable salt of biology and acid and low concentration heparin | ND合伙人股份有限公司 | 2016-06-08 | — | — | CN | disclosed |