⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL321153 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11544931 | 0.98 | ADRA2A (0.45) | — | |
| Bicarbonate SCHEMBL28002052 | 0.90 | ADRA2A (0.46) | — | |
| Acetic Acid SCHEMBL31482278 | 0.90 | ADRA2A (0.46) | — | |
| Imidazole SCHEMBL28272768 | 0.85 | ALDH1A1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL26917940 | 0.80 | ADRA2A (0.42) | — | |
| SCHEMBL2887479 | 0.80 | — | — | |
| SCHEMBL189942 | 0.80 | — | — | |
| SCHEMBL29046781 | 0.80 | ADRA2A (0.53) | — | |
| SCHEMBL9501488 | 0.80 | F2RL1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3884940-A1 | NOVEL IMIDAZOLE DERIVATIVE | Taisho Pharmaceutical Co., Ltd. (JP) | 2021-09-29 | — | — | EP | disclosed |