⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL846055 | 0.71 | — | — | |
| SCHEMBL1531131 | 0.64 | — | — | |
| SCHEMBL1230363 | 0.64 | — | — | |
| SCHEMBL9188685 | 0.64 | — | — | |
| SCHEMBL14922473 | 0.64 | — | — | |
| SCHEMBL20767760 | 0.63 | — | — | |
| SCHEMBL2755228 | 0.61 | — | — | |
| SCHEMBL7035630 | 0.58 | — | — | |
| SCHEMBL14790642 | 0.58 | — | — | |
| SCHEMBL6341523 | 0.58 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63185970-A | — | — | None | — | — | JP | disclosed |
| US-5354862-A | Preparation and the use of halopropargylated cyclic quaternary ammonium compounds as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1994-10-11 | — | — | US | disclosed |
| EP-0427484-B1 | Novel benzoxazolone compounds and the use thereof as microbicides | ROHM & HAAS (US) | 1994-07-20 | — | — | EP | disclosed |
| US-5266567-A | Bactericides, fungicides, algicides | ROHM AND HAAS COMPANY (US) | 1993-11-30 | — | — | US | disclosed |
| EP-0539114-A2 | Halopropargylated cyclic quaternary ammonium compound as antimicrobial agents | ROHM AND HAAS COMPANY (US) | 1993-04-28 | — | — | EP | disclosed |
| US-5102898-A | Halosubstituted alkyne group; fungicides | ROHM AND HAAS COMPANY (US) | 1992-04-07 | — | — | US | disclosed |
| EP-0427484-A1 | Novel benzoxazolone compounds and the use thereof as microbicides | ROHM AND HAAS COMPANY (US) | 1991-05-15 | — | — | EP | disclosed |
| JP-S63185970-A | 2H-1,4-BENZOXAZIN-3(4H)-ONE DERIVATIVE | MORISHITA SEIYAKU KK | 1988-08-01 | — | — | JP | disclosed |