⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7556654 | 1.00 | — | — | |
| SCHEMBL7558075 | 0.90 | MEN1 (0.33) | — | |
| SCHEMBL7558072 | 0.90 | MEN1 (0.33) | — | |
| SCHEMBL7518953 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL7514475 | 0.64 | — | — | |
| SCHEMBL2120877 | 0.60 | — | — | |
| SCHEMBL8320622 | 0.60 | — | — | |
| SCHEMBL2122718 | 0.60 | — | — | |
| SCHEMBL118916 | 0.60 | — | — | |
| SCHEMBL10364428 | 0.59 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0765870-B1 | Broad-spectrum antimicrobially active compounds | ROHM & HAAS (US) | 2002-02-13 | — | — | EP | claimed |
| EP-0765870-A2 | Broad-spectrum antimicrobially active compounds | ROHM AND HAAS COMPANY (US) | 1997-04-02 | — | — | EP | claimed |
| EP-0765870-B1 | Broad-spectrum antimicrobially active compounds | ROHM & HAAS (US) | 2002-02-13 | — | — | EP | disclosed |
| US-5883134-A | APPLYING 1-(ALKYLSULFINYL- OR ALKYLSULFONYL)-2-NITROETHENE DERIVATIVE AS BACTERICIDE, FUNGICIDE, AND/OR ALGICIDE | ROHM AND HAAS COMPANY (US) | 1999-03-16 | — | — | US | disclosed |
| EP-0765870-A2 | Broad-spectrum antimicrobially active compounds | ROHM AND HAAS COMPANY (US) | 1997-04-02 | — | — | EP | disclosed |