⚠ 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 | |
|---|---|---|---|---|
| 4-Imidazolecarboxylic Acid SCHEMBL317725 | 0.98 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL27485308 | 0.95 | NPC1 (0.52) | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL27315802 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL27473022 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL1662601 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL27484959 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL28747764 | 0.95 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL17143063 | 0.87 | HRH3 (0.53) | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL27760420 | 0.87 | TP53 (0.46) | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL10646188 | 0.86 | NPC1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105693727-B | 8-（Tertbutyloxycarbonyl）The synthetic method of -6,7,8,9- tetrahydrochysenes -5- hydrogen-imidazoles [1,5-a] [1,4] diaza -6- carboxylic acids | 上海合全药业股份有限公司 | 2018-10-16 | — | — | CN | disclosed |
| CN-105693727-A | Synthesis method of 8-(tert-butyloxycarbonyl)-6, 7, 8, 9-tetrahydro-5-hydro-imidazole[1, 5-a][1, 4]diaza-6-carboxylic acid | 上海合全药业股份有限公司 | 2016-06-22 | — | — | CN | disclosed |