⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9740442 | 1.00 | — | — | |
| SCHEMBL9740450 | 1.00 | — | — | |
| SCHEMBL9823922 | 0.86 | — | — | |
| SCHEMBL9739664 | 0.84 | — | — | |
| SCHEMBL9738901 | 0.83 | IKBKB (0.54) | — | |
| SCHEMBL9738898 | 0.83 | IKBKB (0.54) | — | |
| SCHEMBL9738892 | 0.83 | IKBKB (0.54) | — | |
| SCHEMBL9215715 | 0.82 | — | — | |
| SCHEMBL606349 | 0.81 | — | — | |
| SCHEMBL607252 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5087621-A | Microbiocides | LABORATORIOS DEL DR. ESTEVE (ES) | 1992-02-11 | — | — | US | claimed |
| US-5087621-A | Microbiocides | LABORATORIOS DEL DR. ESTEVE (ES) | 1992-02-11 | — | — | US | disclosed |