⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14736093 | 0.68 | — | — | |
| SCHEMBL1040557 | 0.66 | — | — | |
| SCHEMBL14740500 | 0.62 | — | — | |
| SCHEMBL5045908 | 0.61 | — | — | |
| SCHEMBL30626777 | 0.60 | — | — | |
| SCHEMBL28006187 | 0.60 | — | — | |
| SCHEMBL9208222 | 0.59 | — | — | |
| Biphenyl SCHEMBL27702269 | 0.58 | ALDH1A1 (0.45) | — | |
| SCHEMBL526305 | 0.58 | ALDH1A1 (0.38) | — | |
| Benzene SCHEMBL27953403 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130059996-A1 | Boron-Containing PI-Electron Materials Incorporating Formally Aromatic and Neutral Borepin Rings | THE JOHNS HOPKINS UNIVERSITY | 2013-03-07 | — | — | US | disclosed |