⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4407825 | 0.70 | — | — | |
| SCHEMBL11768987 | 0.70 | — | — | |
| SCHEMBL25008004 | 0.67 | MCOLN2 (0.40) | — | |
| SCHEMBL19860035 | 0.67 | MCOLN2 (0.40) | — | |
| SCHEMBL4413524 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL25009055 | 0.64 | CYP1A2 (0.37) | — | |
| SCHEMBL4409109 | 0.64 | ALDH1A1 (0.49) | — | |
| SCHEMBL23488148 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL24263770 | 0.63 | GAA (0.50) | — | |
| SCHEMBL4414682 | 0.63 | CYP1A2 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1776347-B1 | SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION | SANOFI AVENTIS (FR) | 2010-05-26 | — | — | EP | disclosed |
| EP-0034924-B1 | PROCESS FOR PREPARING 3-IODOMETHYL CEPHALOSPORINS | ELI LILLY AND COMPANY (US) | 1984-07-04 | — | — | EP | disclosed |
| EP-0034924-A2 | Process for preparing 3-iodomethyl cephalosporins | ELI LILLY AND COMPANY (US) | 1981-09-02 | — | — | EP | disclosed |
| US-4266049-A | Process for 3-iodomethyl cephalosporins | ELI LILLY AND COMPANY (US) | 1981-05-05 | — | — | US | disclosed |