⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL349852 | 0.97 | — | — | |
| SCHEMBL391833 | 0.77 | — | — | |
| Ethane SCHEMBL11235949 | 0.74 | — | — | |
| SCHEMBL19435 | 0.73 | — | — | |
| SCHEMBL29412221 | 0.70 | — | — | |
| SCHEMBL298980 | 0.63 | — | — | |
| SCHEMBL11768379 | 0.61 | CA1 (0.39) | — | |
| Ether SCHEMBL8147469 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL27317175 | 0.61 | — | — | |
| SCHEMBL2453661 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080041438-A1 | Photoelectric conversion device | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 2008-02-21 | — | — | US | disclosed |
| EP-1865522-A2 | Redox pair for a dye sensitized solar cell | Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) | 2007-12-12 | — | — | EP | disclosed |