⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4938764 | 0.84 | — | — | |
| SCHEMBL7581735 | 0.64 | MEN1 (0.40) | — | |
| SCHEMBL18890497 | 0.64 | MEN1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL11685389 | 0.63 | MEN1 (0.39) | — | |
| SCHEMBL4931900 | 0.63 | MEN1 (0.36) | — | |
| SCHEMBL29360239 | 0.62 | — | — | |
| SCHEMBL709998 | 0.62 | — | — | |
| SCHEMBL9429297 | 0.62 | — | — | |
| Acetic Acid SCHEMBL8158380 | 0.60 | MEN1 (0.34) | — | |
| SCHEMBL31207184 | 0.59 | NOX1 (0.48) | — |
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-20110287468-A1 | METHODS AND COMPOSITIONS FOR ASSAYING ENZYMATIC ACTIVITY OF MYELOPEROXIDASE IN BLOOD SAMPLES | GENERAL ATOMICS (US) | 2011-11-24 | — | — | US | disclosed |
| WO-2011133581-A1 | METHODS AND COMPOSITIONS FOR ASSAYING ENZYMATIC ACTIVITY OF MYELOPEROXIDASE IN BLOOD SAMPLES | GENERAL ATOMICS (US) | 2011-10-27 | — | — | WO | disclosed |