⚠ 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 | |
|---|---|---|---|---|
| Cyanate SCHEMBL31620133 | 0.89 | — | — | |
| SCHEMBL627800 | 0.88 | — | — | |
| Bromide SCHEMBL2345235 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL796577 | 0.86 | — | — | |
| SCHEMBL5071335 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL7929891 | 0.84 | — | — | |
| SCHEMBL2476646 | 0.80 | — | — | |
| Acetic Acid SCHEMBL528342 | 0.76 | — | — | |
| Bromide SCHEMBL6383260 | 0.74 | — | — | |
| Thiocyanic Acid SCHEMBL2939044 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012112120-A1 | INORGANIC NANORODS AND A METHOD OF FORMING THE SAME, AND A PHOTOELECTRODE AND A PHOTOVOLTAIC DEVICE COMPRISING THE INORGANIC NANORODS | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2012-08-23 | — | — | WO | disclosed |
| EP-1620869-A2 | DYE SENSITIZED SOLAR CELL | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004097871-A2 | DYE SENSITIZED SOLAR CELL | ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) | 2004-11-11 | — | — | WO | disclosed |