⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3116346 | 0.82 | ALDH1A1 (0.52) | — | |
| Isophthalic Dicarboxaldehyde SCHEMBL3111980 | 0.77 | NFE2L2 (0.47) | — | |
| SCHEMBL7692771 | 0.73 | ALDH1A1 (0.43) | — | |
| Nitrobenzene SCHEMBL28543842 | 0.71 | ALDH1A1 (0.89) | — | |
| Nitrobenzene SCHEMBL16698133 | 0.71 | ALDH1A1 (0.89) | — | |
| Nitrobenzene SCHEMBL27522452 | 0.71 | ALDH1A1 (0.89) | — | |
| SCHEMBL13042644 | 0.69 | — | — | |
| Nitrobenzene SCHEMBL1330714 | 0.69 | — | — | |
| SCHEMBL634071 | 0.69 | — | — | |
| Nitrobenzene SCHEMBL20411 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61118741-A | — | — | None | — | — | JP | disclosed |
| US-20250084070-A1 | PROCESS FOR THE SYNTHESIS OF 5-((2-METHYL-1H-IMIDAZOL-1-YL)METHYL)FURAN-2-CARBALDEHYDE AND OF NITRONES FROM 5-((2-METHYL-1H-IMIDAZOL-1-YL)METHYL)FURAN-2-CARBALDEHYDE | COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (FR) | 2025-03-13 | — | — | US | disclosed |
| WO-2025021994-A1 | NEW PHOTOCLEAVABLE PYRANINE DERIVATIVES, THEIR METHOD OF PREPARATION AND THEIR USES | PARIS SCIENCES ET LETTRES (FR) | 2025-01-30 | — | — | WO | disclosed |
| CN-108624317-A | A kind of core-shell type quantum point and its preparation method and application | 京东方科技集团股份有限公司 | 2018-10-09 | — | — | CN | disclosed |
| JP-S61118741-A | PHOTORESIST MATERIAL | FUJI PHOTO FILM CO LTD | 1986-06-06 | — | — | JP | disclosed |