⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL794478 | 0.62 | — | — | |
| SCHEMBL620794 | 0.62 | — | — | |
| SCHEMBL4932940 | 0.62 | — | — | |
| SCHEMBL4933560 | 0.57 | — | — | |
| SCHEMBL4724714 | 0.57 | — | — | |
| SCHEMBL20797755 | 0.42 | — | — | |
| SCHEMBL356698 | 0.35 | AHR (0.50) | — | |
| SCHEMBL24617 | 0.35 | — | — | |
| Perbromobenzene SCHEMBL27124 | 0.34 | ALDH1A1 (0.50) | — | |
| Calcium Bromide SCHEMBL30888723 | 0.34 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006122740-A2 | 7-AMINO-6-HETARYLIMIDAZOLO[1,2-A]PYRIMIDINE COMPOUNDS AND USE THEREOF FOR CONTROLLING HARMFUL FUNGI | BASF AKTIENGESELLSCHAFT (DE) | 2006-11-23 | — | — | WO | disclosed |