⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL139430 | 0.75 | — | — | |
| SCHEMBL5033464 | 0.73 | HDAC8 (0.58) | — | |
| SCHEMBL1820120 | 0.73 | HDAC8 (0.58) | — | |
| Hydrochloric Acid SCHEMBL1190733 | 0.73 | — | — | |
| SCHEMBL1649302 | 0.71 | HDAC8 (0.55) | — | |
| Isonicotinonitrile SCHEMBL12264099 | 0.69 | — | — | |
| SCHEMBL1190707 | 0.69 | HDAC8 (0.52) | — | |
| SCHEMBL446651 | 0.69 | — | — | |
| Isonicotinonitrile SCHEMBL2015834 | 0.69 | HDAC8 (0.52) | — | |
| Isonicotinonitrile SCHEMBL151611 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1969651-A1 | SENSITIZING COMPLEXES, THEIR METHOD OF PRODUCTION, HYBRID INORGANIC/ ORGANIC SEMICONDUCTOR MATERIAL COMPRISING THEM, AND PHOTOVOLTAIC CELL COMPRISING THIS MATERIAL | Commissariat à l'Energie Atomique (FR) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007071792-A1 | SENSITIZING COMPLEXES, THEIR METHOD OF PRODUCTION, HYBRID INORGANIC/ ORGANIC SEMICONDUCTOR MATERIAL COMPRISING THEM, AND PHOTOVOLTAIC CELL COMPRISING THIS MATERIAL | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2007-06-28 | — | — | WO | disclosed |