⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10702830 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL28850980 | 0.76 | CES1 (0.39) | — | |
| SCHEMBL5202979 | 0.75 | FNTA (0.50) | — | |
| SCHEMBL28401204 | 0.74 | CES1 (0.41) | — | |
| SCHEMBL798415 | 0.73 | — | — | |
| SCHEMBL5176816 | 0.73 | — | — | |
| Acetic Acid SCHEMBL27601436 | 0.72 | CES1 (0.52) | — | |
| SCHEMBL18047805 | 0.72 | CES1 (0.46) | — | |
| SCHEMBL10698087 | 0.72 | CES1 (0.46) | — | |
| SCHEMBL20163587 | 0.72 | CES1 (0.46) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013009079-A1 | TRIPHENYLENE-BASED COMPOUND AND ORGANIC ELECTROLUMINESCENT DIODE USING SAME | 주식회사 두산 (KR) | 2013-01-17 | — | — | WO | disclosed |