⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2500138 | 1.00 | — | — | |
| SCHEMBL11353462 | 0.78 | KIF11 (0.35) | — | |
| SCHEMBL9462505 | 0.77 | SLC1A5 (0.41) | — | |
| SCHEMBL4088511 | 0.77 | SLC1A5 (0.41) | — | |
| SCHEMBL7468122 | 0.77 | HTT (0.30) | — | |
| SCHEMBL2319431 | 0.77 | SLC1A5 (0.41) | — | |
| SCHEMBL3175584 | 0.77 | HTT (0.30) | — | |
| SCHEMBL8497885 | 0.76 | NOS3 (0.30) | — | |
| SCHEMBL4170335 | 0.75 | PRKCA (0.33) | — | |
| SCHEMBL18274733 | 0.74 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5089491-A | Active against both gram-negative and gram-positive bacteria | EISAI CO., LTD. (JP) | 1992-02-18 | — | — | US | disclosed |
| EP-0264091-B1 | 3-PROPENYLCEPHEM DERIVATIVE, PREPARATION THEREOF, CHEMICAL INTERMEDIATES THEREIN, PHARMACEUTICAL COMPOSITION AND USE | Eisai Co., Ltd. (JP) | 1992-02-05 | — | — | EP | disclosed |
| US-5066812-A | Chemical intermediates for bactericides | EISAI CO., LTD. (JP) | 1991-11-19 | — | — | US | disclosed |
| US-5006649-A | Bactericides | EISAI, CO. (JP) | 1991-04-09 | — | — | US | disclosed |
| US-4921850-A | GRAMNEGATIVE AND GRAMPOSITIVE BACTERICIDE | EISAI CO., LTD. (JP) | 1990-05-01 | — | — | US | disclosed |
| EP-0264091-A2 | 3-Propenylcephem derivative, preparation thereof, chemical intermediates therein, pharmaceutical composition and use | Eisai Co., Ltd. (JP) | 1988-04-20 | — | — | EP | disclosed |