⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22450 | 0.97 | — | — | |
| SCHEMBL27328513 | 0.97 | CES2 (0.47) | — | |
| SCHEMBL27893933 | 0.94 | — | — | |
| SCHEMBL27877113 | 0.94 | — | — | |
| SCHEMBL28066947 | 0.94 | — | — | |
| Ammonia Solution, Strong SCHEMBL28677895 | 0.94 | — | — | |
| SCHEMBL15543494 | 0.94 | — | — | |
| SCHEMBL1720486 | 0.94 | — | — | |
| SCHEMBL27637782 | 0.94 | — | — | |
| Formaldehyde SCHEMBL15875700 | 0.92 | CES2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105814707-B | Organic dye for dye-sensitized solar cell | 艾尼股份公司 | 2019-03-22 | — | — | CN | disclosed |
| CN-104995705-B | Organic dyes for dye-sensitized solar cells | 艾尼股份公司 | 2018-04-10 | — | — | CN | disclosed |
| CN-105814707-A | Organic dye for dye-sensitized solar cell | 艾尼股份公司 | 2016-07-27 | — | — | CN | disclosed |