⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL29193627 | 0.84 | SHBG (0.30) | — | |
| SCHEMBL703870 | 0.84 | TYR (0.31) | — | |
| SCHEMBL11348950 | 0.83 | ACHE (0.30) | — | |
| SCHEMBL29413071 | 0.79 | — | — | |
| SCHEMBL93389 | 0.79 | — | — | |
| SCHEMBL17801136 | 0.79 | — | — | |
| SCHEMBL31651031 | 0.79 | ALDH1A1 (0.31) | — | |
| Phenol SCHEMBL9177280 | 0.77 | GLA (0.32) | — | |
| SCHEMBL11348951 | 0.76 | HTR1D (0.35) | — | |
| SCHEMBL151729 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118852064-A | Triglycidyl 4-amino-3-methylphenol epoxy resin and preparation method and application thereof | 络合高新材料(上海)有限公司 | 2024-10-29 | — | — | CN | disclosed |