⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17747520 | 1.00 | — | — | |
| SCHEMBL16785962 | 0.80 | — | — | |
| SCHEMBL16785722 | 0.76 | — | — | |
| SCHEMBL15025956 | 0.74 | — | — | |
| SCHEMBL15025760 | 0.73 | — | — | |
| SCHEMBL15026020 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL648632 | 0.72 | DYRK1A (0.33) | — | |
| SCHEMBL650203 | 0.72 | DYRK1A (0.33) | — | |
| SCHEMBL13156600 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL29360481 | 0.71 | CACNA2D1 (0.37) | — |
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-9444060-B2 | Synthesis of new small molecules/oligomers with high conductivity and absorption for optoelectronic application | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2016-09-13 | — | — | US | disclosed |
| US-20160141527-A1 | SYNTHESIS OF NEW SMALL MOLECULES/OLIGOMERS WITH HIGH CONDUCTIVITY AND ABSORPTION FOR OPTOELECTRONIC APPLICATION | SABIC GLOBAL TECHNOLOGIES B.V. (NL) | 2016-05-19 | — | — | US | disclosed |