⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2024892 | 1.00 | — | — | |
| SCHEMBL8397539 | 0.94 | — | — | |
| SCHEMBL5432 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL2985898 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL7031098 | 0.88 | — | — | |
| Hydrazine SCHEMBL23413289 | 0.82 | — | — | |
| SCHEMBL1144463 | 0.82 | — | — | |
| SCHEMBL5187 | 0.82 | — | — | |
| SCHEMBL7459639 | 0.82 | — | — | |
| SCHEMBL18639093 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7781218-B2 | Identification of humans through characteristic compounds detected in human scent | The Florida International University (US) | 2010-08-24 | — | — | US | disclosed |
| US-20090081795-A1 | Identification of Humans Through Characteristic Compounds Detected in Human Scent | THE FLORIDA INTERNATIONAL UNIVERSITY BOARD OF TRUS (US) | 2009-03-26 | — | — | US | disclosed |