⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10097915 | 0.64 | — | — | |
| SCHEMBL13924419 | 0.64 | — | — | |
| SCHEMBL12824497 | 0.61 | — | — | |
| SCHEMBL14922921 | 0.58 | — | — | |
| SCHEMBL8330773 | 0.58 | — | — | |
| SCHEMBL173031 | 0.58 | — | — | |
| Ethylene SCHEMBL629985 | 0.58 | — | — | |
| SCHEMBL630060 | 0.58 | — | — | |
| SCHEMBL13766533 | 0.56 | — | — | |
| SCHEMBL12393159 | 0.56 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7537742-B2 | Process and adsorbent for hydrogen purification | PRAXAIR TECHNOLOGY, INC. (US) | 2009-05-26 | — | — | US | disclosed |