⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4925574 | 0.97 | DPP4 (0.32) | — | |
| SCHEMBL9713932 | 0.97 | DPP4 (0.32) | — | |
| SCHEMBL8913613 | 0.94 | — | — | |
| SCHEMBL2463347 | 0.88 | — | — | |
| SCHEMBL30748770 | 0.70 | DPP4 (0.35) | — | |
| SCHEMBL1127818 | 0.67 | DPP4 (0.40) | — | |
| SCHEMBL283608 | 0.65 | — | — | |
| SCHEMBL8629131 | 0.65 | — | — | |
| SCHEMBL8905850 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL528872 | 0.65 | TSHR (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5084449-A | Bactericides and antiprotozoa agents | DR. KARL THOMAE GMBH (DE) | 1992-01-28 | — | — | US | disclosed |
| US-4992430-A | Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase | DR. KARL THOMAE GMBH (DE) | 1991-02-12 | — | — | US | disclosed |
| US-4829058-A | INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA | DR. KARL THOMAE GMBH (DE) | 1989-05-09 | — | — | US | disclosed |