⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2174434 | 1.00 | TSHR (0.61) | — | |
| SCHEMBL2176877 | 1.00 | — | — | |
| SCHEMBL10760691 | 1.00 | TSHR (0.61) | — | |
| SCHEMBL2173321 | 1.00 | — | — | |
| SCHEMBL2175361 | 1.00 | TSHR (0.61) | — | |
| SCHEMBL2174316 | 1.00 | TSHR (0.61) | — | |
| SCHEMBL2172991 | 1.00 | TSHR (0.61) | — | |
| SCHEMBL7530328 | 0.96 | — | — | |
| SCHEMBL2175475 | 0.84 | — | — | |
| Octane SCHEMBL5886651 | 0.83 | TSHR (0.89) | — |
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-2512979-A2 | HYDROGEN STORAGE AND/OR GENERATION | California Institute of Technology (US) | 2012-10-24 | — | — | EP | disclosed |
| US-20110171119-A1 | HYDROGEN STORAGE AND/OR GENERATION | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) | 2011-07-14 | — | — | US | disclosed |
| WO-2011081949-A2 | HYDROGEN STORAGE AND/OR GENERATION | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2011-07-07 | — | — | WO | disclosed |