⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9117781 | 1.00 | — | — | |
| SCHEMBL9121260 | 0.88 | ITGB3 (0.32) | — | |
| SCHEMBL11725331 | 0.81 | — | — | |
| SCHEMBL11725340 | 0.81 | — | — | |
| SCHEMBL11724089 | 0.69 | — | — | |
| SCHEMBL8782361 | 0.67 | — | — | |
| SCHEMBL3233343 | 0.67 | — | — | |
| SCHEMBL28876809 | 0.67 | — | — | |
| Acrylic Acid SCHEMBL27850708 | 0.67 | LMNA (0.40) | — | |
| SCHEMBL28921821 | 0.67 | ITGB3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5461167-A | 2-chloro-5-chloromethyl thiazole; insecticide | NIHON BAYER AGROCHEM K.K. (JP) | 1995-10-24 | — | — | US | disclosed |