⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL813943 | 1.00 | — | — | |
| SCHEMBL28725398 | 1.00 | ALDH1A1 (0.64) | — | |
| SCHEMBL15440362 | 1.00 | — | — | |
| SCHEMBL3806824 | 0.98 | ALDH1A1 (0.62) | — | |
| SCHEMBL3803240 | 0.98 | ALDH1A1 (0.62) | — | |
| Methane SCHEMBL6359894 | 0.98 | — | — | |
| SCHEMBL28508237 | 0.96 | ALDH1A1 (0.60) | — | |
| Cyclohexane SCHEMBL6354327 | 0.96 | ALDH1A1 (0.60) | — | |
| Acetic Acid SCHEMBL28946054 | 0.96 | ALDH1A1 (0.60) | — | |
| Acetic Acid SCHEMBL3079625 | 0.96 | ALDH1A1 (0.60) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114031718-A | Solvent type dispersion resin for high solid content coating and preparation method thereof | 上海金仕迈树脂有限公司 | 2022-02-11 | — | — | CN | claimed |
| CN-114031718-A | Solvent type dispersion resin for high solid content coating and preparation method thereof | 上海金仕迈树脂有限公司 | 2022-02-11 | — | — | CN | disclosed |
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |