⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL499731 | 0.84 | USP2 (0.48) | — | |
| SCHEMBL2105323 | 0.79 | USP2 (0.43) | — | |
| SCHEMBL576641 | 0.77 | — | — | |
| SCHEMBL6165681 | 0.75 | USP2 (0.40) | — | |
| SCHEMBL9423551 | 0.75 | — | — | |
| SCHEMBL29261040 | 0.75 | — | — | |
| SCHEMBL576900 | 0.75 | USP2 (0.40) | — | |
| SCHEMBL16599472 | 0.73 | KDM4E (0.39) | — | |
| SCHEMBL7571703 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL11754274 | 0.71 | KDM4E (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 |
|---|---|---|---|---|---|---|---|
| EP-0675117-A1 | Bromopropargyl quaternary ammonium compounds having antimicrobial activity | ROHM AND HAAS COMPANY (US) | 1995-10-04 | — | — | EP | disclosed |
| US-5411933-A | Bromopropargyl quarternary ammonium compounds having antimicrobial activity | ROHM & HAAS COMPANY (US) | 1995-05-02 | — | — | US | disclosed |