⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9935822 | 0.68 | — | — | |
| SCHEMBL14722567 | 0.61 | — | — | |
| SCHEMBL9843821 | 0.59 | — | — | |
| SCHEMBL14119854 | 0.54 | — | — | |
| Iodide SCHEMBL818987 | 0.53 | — | — | |
| SCHEMBL14127699 | 0.51 | TSHR (0.41) | — | |
| Silver SCHEMBL14127648 | 0.51 | — | — | |
| Water SCHEMBL27258633 | 0.44 | — | — | |
| Water SCHEMBL28798190 | 0.41 | — | — | |
| SCHEMBL595900 | 0.39 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9390864-B2 | Additives for dye-sensitized solar cells | MERCK PATENT GMBH (DE) | 2016-07-12 | — | — | US | disclosed |
| US-20150340165-A1 | ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS | MERCK PATENT GMBH (DE) | 2015-11-26 | — | — | US | disclosed |
| US-9159499-B2 | Additives for dye-sensitized solar cells | MERCK PATENT GMBH (DE) | 2015-10-13 | — | — | US | disclosed |
| US-20140190567-A1 | ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS | MERCK PATENT GMBH (DE) | 2014-07-10 | — | — | US | disclosed |