⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6653503 | 0.76 | — | — | |
| SCHEMBL8657641 | 0.72 | — | — | |
| SCHEMBL27803951 | 0.69 | — | — | |
| SCHEMBL4519303 | 0.69 | — | — | |
| SCHEMBL3545623 | 0.69 | — | — | |
| SCHEMBL7074535 | 0.69 | — | — | |
| SCHEMBL28198589 | 0.67 | — | — | |
| Urea SCHEMBL29287410 | 0.65 | — | — | |
| SCHEMBL4519302 | 0.65 | — | — | |
| SCHEMBL15345878 | 0.65 | ALDH1A1 (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-0030771-B1 | NOVEL PROCESS FOR THE PREPARATION OF 6-AMINOPENICILLANIC ACID-1,1-DIOXIDE AND ITS SALTS | GIST-BROCADES N.V. (NL) | 1983-04-13 | — | — | EP | disclosed |
| EP-0003329-B1 | CEPHALEXIN-AMIDE COMPLEX, PROCESS FOR ITS PRODUCTION AND USE IN CEPHALEXIN-MONOHYDRATE PRODUCTION | BIOCHEMIE Gesellschaft m.b.H. (AT) | 1981-09-23 | — | — | EP | disclosed |