⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11440 | 0.79 | — | — | |
| SCHEMBL17859453 | 0.77 | HRH4 (0.41) | — | |
| SCHEMBL17861407 | 0.73 | HRH4 (0.45) | — | |
| SCHEMBL7118973 | 0.71 | — | — | |
| L-Histidinal SCHEMBL12652228 | 0.71 | HRH4 (0.59) | — | |
| L-Histidinal SCHEMBL1080911 | 0.71 | HRH4 (0.59) | — | |
| L-Histidinal SCHEMBL65206 | 0.71 | HRH4 (0.59) | — | |
| SCHEMBL10079220 | 0.69 | CPB2 (0.54) | — | |
| SCHEMBL13346893 | 0.69 | CPB2 (0.54) | — | |
| SCHEMBL5338200 | 0.67 | ADRA2A (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016096589-A1 | SYNTHETIC ENZYME MIMIC BASED ON A HISTIDINE SCAFFOLD | UNILEVER PLC (GB) | 2016-06-23 | — | — | WO | disclosed |
| WO-2016096590-A1 | SYNTHETIC ENZYME MIMIC BASED ON A HISTIDINE SCAFFOLD | UNILEVER PLC (GB) | 2016-06-23 | — | — | WO | disclosed |