⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2246589 | 0.79 | — | — | |
| SCHEMBL587920 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL1502256 | 0.76 | — | — | |
| SCHEMBL11869832 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL11435772 | 0.76 | — | — | |
| SCHEMBL3083261 | 0.73 | — | — | |
| Trimethylammonium SCHEMBL17423888 | 0.71 | — | — | |
| SCHEMBL1358816 | 0.69 | — | — | |
| SCHEMBL7202962 | 0.69 | — | — | |
| SCHEMBL3079429 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8613233-B2 | Devices for collecting chemical compounds | BATTELLE ENERGY ALLIANCE, LLC (US) | 2013-12-24 | — | — | US | disclosed |
| US-8342042-B2 | Device for collecting chemical compounds and related methods | BATTELLE ENERGY ALLIANCE, LLC (US) | 2013-01-01 | — | — | US | disclosed |
| US-20110277564-A1 | DEVICE FOR COLLECTING CHEMICAL COMPOUNDS AND RELATED METHODS | BATTELLE ENERGY ALLIANCE, LLC (US) | 2011-11-17 | — | — | US | disclosed |
| WO-2011143349-A1 | DEVICES FOR COLLECTING CHEMICAL COMPOUNDS | BATTELLE ENERGY ALLIANCE, LLC (US) | 2011-11-17 | — | — | WO | disclosed |
| US-20110277563-A1 | DEVICES FOR COLLECTING CHEMICAL COMPOUNDS | BATTELLE ENERGY ALLIANCE, LLC (US) | 2011-11-17 | — | — | US | disclosed |