⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL33207 | 0.75 | — | — | |
| SCHEMBL6381874 | 0.75 | — | — | |
| SCHEMBL8627727 | 0.72 | — | — | |
| SCHEMBL13430331 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL11277510 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL10613718 | 0.72 | — | — | |
| SCHEMBL1502255 | 0.72 | — | — | |
| SCHEMBL11790662 | 0.72 | — | — | |
| SCHEMBL587920 | 0.72 | — | — | |
| SCHEMBL3828949 | 0.70 | — | — |
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 7 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 |
| WO-2011143349-A1 | DEVICES FOR COLLECTING CHEMICAL COMPOUNDS | BATTELLE ENERGY ALLIANCE, LLC (US) | 2011-11-17 | — | — | WO | disclosed |
| US-20110277564-A1 | DEVICE FOR COLLECTING CHEMICAL COMPOUNDS AND RELATED METHODS | BATTELLE ENERGY ALLIANCE, LLC (US) | 2011-11-17 | — | — | US | disclosed |
| US-20110277563-A1 | DEVICES FOR COLLECTING CHEMICAL COMPOUNDS | BATTELLE ENERGY ALLIANCE, LLC (US) | 2011-11-17 | — | — | US | disclosed |
| US-4337359-A | REACTING ALKALI OR ALKALINE EARTH (POLY) SULFIDE WITH 0,0,0-TRIMETHYL THIOPHOSPHATE | BAYER AKTIENGESELLSCHAFT (DE) | 1982-06-29 | — | — | US | disclosed |
| US-4185052-A | Process for thiophosphoric acid derivatives | SANDOZ LTD. (CH) | 1980-01-22 | — | — | US | disclosed |