⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7170252 | 0.73 | GABRR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1846220 | 0.72 | — | — | |
| Allylamine SCHEMBL8984860 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL10610173 | 0.67 | — | — | |
| SCHEMBL9819302 | 0.62 | — | — | |
| SCHEMBL16449 | 0.62 | — | — | |
| SCHEMBL6007589 | 0.61 | — | — | |
| SCHEMBL19021932 | 0.61 | — | — | |
| SCHEMBL1778945 | 0.61 | — | — | |
| SCHEMBL19596989 | 0.61 | — | — |
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-5128361-A | IMIDAZOLINE DERIVATIVES FOR SYSTEMIC COMBATING OF ECTOPARASITES IN HOST ANIMALS | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-07-07 | — | — | US | disclosed |