⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL28168524 | 1.00 | — | — | |
| Propane SCHEMBL29113063 | 0.91 | — | — | |
| Propane SCHEMBL10956924 | 0.89 | TSHR (0.43) | — | |
| Propane SCHEMBL9246294 | 0.89 | — | — | |
| Propane SCHEMBL1021 | 0.89 | — | — | |
| Propane SCHEMBL9248656 | 0.89 | TSHR (0.43) | — | |
| Propane SCHEMBL1080979 | 0.80 | — | — | |
| Propane SCHEMBL787113 | 0.80 | TSHR (0.38) | — | |
| Propane SCHEMBL1259305 | 0.80 | — | — | |
| Propane SCHEMBL258695 | 0.80 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2069513-A2 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | California Institute of Technology (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008016709-A9 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | CALIFORNIA INST OF TECHN (US) | 2008-05-29 | — | — | WO | disclosed |
| WO-2008016709-A2 | METHODS AND SYSTEMS FOR SELECTIVE FLUORINATION OF ORGANIC MOLECULES | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2008-02-07 | — | — | WO | disclosed |