⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8627727 | 1.00 | — | — | |
| SCHEMBL33207 | 0.78 | — | — | |
| SCHEMBL19057270 | 0.77 | — | — | |
| SCHEMBL3076183 | 0.75 | CA2 (0.33) | — | |
| SCHEMBL3075816 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL10613718 | 0.75 | — | — | |
| SCHEMBL27852350 | 0.75 | — | — | |
| SCHEMBL587920 | 0.75 | — | — | |
| SCHEMBL27852316 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28139506 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2276510-B1 | Chemical and biochemical adducts as biomarkers for organophosphate exposure | HUMAN BIOMOLECULAR RES INST (US) | 2016-07-06 | — | — | EP | disclosed |
| WO-2010039163-A2 | CHEMICAL AND BIOCHEMICAL ADDUCTS AS BIOMARKERS FOR ORGANOPHOSPHATE EXPOSURE | HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) | 2010-04-08 | — | — | WO | disclosed |