⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4243765 | 0.75 | — | — | |
| SCHEMBL17626427 | 0.74 | — | — | |
| SCHEMBL14137852 | 0.72 | — | — | |
| SCHEMBL17626479 | 0.70 | — | — | |
| SCHEMBL13651447 | 0.67 | — | — | |
| SCHEMBL19395944 | 0.67 | — | — | |
| SCHEMBL19395881 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL214833 | 0.65 | — | — | |
| SCHEMBL11312626 | 0.64 | — | — | |
| SCHEMBL19395826 | 0.64 | CTSA (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8648127-B2 | Self decontaminating chemical and biological agent resistant coating | THE BOEING COMPANY (US) | 2014-02-11 | — | — | US | disclosed |
| WO-2009148665-A1 | SELF DECONTAMINATING CHEMICAL AND BIOLOGICAL AGENT RESISTANT COATING AND METHOD | THE BOEING COMPANY (US) | 2009-12-10 | — | — | WO | disclosed |
| US-20090298967-A1 | SELF DECONTAMINATING CHEMICAL AND BIOLOGICAL AGENT RESISTANT COATING | THE BOEING COMPANY (US) | 2009-12-03 | — | — | US | disclosed |