⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16076532 | 0.83 | LPAR6 (0.32) | — | |
| SCHEMBL16076539 | 0.81 | — | — | |
| SCHEMBL16076538 | 0.79 | — | — | |
| SCHEMBL25638703 | 0.72 | USP2 (0.53) | — | |
| SCHEMBL14369618 | 0.71 | LPAR1 (0.41) | — | |
| SCHEMBL29309501 | 0.69 | TSHR (0.48) | — | |
| SCHEMBL19319566 | 0.69 | EPHX2 (0.32) | — | |
| SCHEMBL29309498 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL19319561 | 0.69 | EPHX2 (0.32) | — | |
| SCHEMBL13286096 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9329158-B2 | Epoxy chemistry derived materials as mixed mode chromatography media, method for their synthesis and use | DIONEX CORPORATION (US) | 2016-05-03 | — | — | US | disclosed |
| US-20140273264-A1 | EPOXY CHEMISTRY DERIVED MATERIALS AS MIXED MODE CHROMATOGRAPHY MEDIA, METHOD FOR THEIR SYNTHESIS AND USE | DIONEX CORPORATION | 2014-09-18 | — | — | US | disclosed |