⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11314705 | 0.94 | — | — | |
| Acetone SCHEMBL9487446 | 0.89 | — | — | |
| Acetone SCHEMBL426193 | 0.76 | — | — | |
| Acetone SCHEMBL27682557 | 0.76 | — | — | |
| Acetic Acid SCHEMBL3763731 | 0.71 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL9340210 | 0.71 | — | — | |
| Acetone SCHEMBL531270 | 0.71 | — | — | |
| Acetic Acid SCHEMBL9812633 | 0.71 | FFAR3 (0.88) | — | |
| Acetic Acid SCHEMBL19920 | 0.71 | — | — | |
| Acetic Acid SCHEMBL8107424 | 0.71 | FFAR3 (0.88) | — |
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-20050092241-A1 | Appliance having a container including a nanostructured material for hydrogen storage | GENERAL ELECTRIC COMPANY | 2005-05-05 | — | — | US | claimed |