⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15611371 | 0.85 | — | — | |
| SCHEMBL15610000 | 0.74 | — | — | |
| SCHEMBL10455975 | 0.71 | — | — | |
| SCHEMBL312236 | 0.69 | — | — | |
| SCHEMBL15610196 | 0.68 | — | — | |
| SCHEMBL4576059 | 0.67 | — | — | |
| SCHEMBL8597302 | 0.67 | — | — | |
| SCHEMBL313823 | 0.66 | HTR6 (0.32) | — | |
| SCHEMBL1080492 | 0.66 | SIGMAR1 (0.33) | — | |
| SCHEMBL3444459 | 0.66 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8802305-B2 | Fuel cell system and processes | GM Global Technology Operations LLC (US) | 2014-08-12 | — | — | US | disclosed |
| US-8147592-B2 | Using a metallocene to remove oxygen from a stream of gas | THE BOEING COMPANY (US) | 2012-04-03 | — | — | US | disclosed |
| US-20120077096-A1 | FUEL CELL SYSTEM AND PROCESSES | GM GLOBAL TECHNOLOGY OPERATIONS, INC. (US) | 2012-03-29 | — | — | US | disclosed |
| US-20090230248-A1 | USING A METALLOCENE TO REMOVE OXYGEN FROM A STREAM OF GAS | THE BOEING COMPANY (US) | 2009-09-17 | — | — | US | disclosed |