⚠ 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 | |
|---|---|---|---|---|
| Propylamine SCHEMBL11591302 | 0.93 | — | — | |
| Propanol SCHEMBL465347 | 0.90 | ALDH1A1 (0.59) | — | |
| Ethylamine SCHEMBL28449506 | 0.90 | — | — | |
| Alcohol SCHEMBL465325 | 0.90 | — | — | |
| Propanol SCHEMBL1979483 | 0.88 | DNM1 (0.58) | — | |
| Butylamine SCHEMBL133789 | 0.87 | — | — | |
| Methyl Alcohol SCHEMBL4941433 | 0.86 | — | — | |
| SCHEMBL16933 | 0.86 | — | — | |
| SCHEMBL17028873 | 0.86 | TSHR (0.58) | — | |
| SCHEMBL6866081 | 0.85 | DNM1 (0.72) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2161318-A1 | TRIPHENYLBORON COMPOUND-CONTAINING ANTIFOULING COATING COMPOSITION HAVING IMPROVED STABILITY, ANTIFOULING AGENT SET USED THEREFOR, AND METHOD FOR SUPPRESSING/CONTROLLING DECOMPOSITION OF TRIPHENYLBORON COMPOUND | CHUGOKU MARINE PAINTS, LTD. (JP) | 2010-03-10 | — | — | EP | disclosed |