Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 4-Imidazolecarboxylic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 SCHEMBL31175403 | 0.78 | PTGER1 (0.30) | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL31175400 | 0.78 | PTGER1 (0.30) | — | |
| SCHEMBL4445528 | 0.74 | — | — | |
| 4-Imidazolecarboxylic Acid SCHEMBL10564448 | 0.74 | — | — | |
| SCHEMBL1270987 | 0.74 | — | — | |
| SCHEMBL343264 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1049688 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL13485764 | 0.71 | — | — | |
| SCHEMBL10352034 | 0.70 | FEN1 (0.42) | — | |
| SCHEMBL5688401 | 0.70 | KDM4E (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2470502-A1 | TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS | Novartis AG (CH) | 2012-07-04 | — | — | EP | disclosed |
| WO-2011023677-A1 | TETRA-SUBSTITUTED HETEROARYL COMPOUNDS AND THEIR USE AS MDM2 AND/OR MDM4 MODULATORS | NOVARTIS AG (CH) | 2011-03-03 | — | — | WO | disclosed |