⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6219027 | 0.77 | — | — | |
| SCHEMBL28511280 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL9179255 | 0.74 | — | — | |
| SCHEMBL11420037 | 0.74 | — | — | |
| SCHEMBL4861738 | 0.74 | — | — | |
| SCHEMBL9869438 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL29209199 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL27534727 | 0.73 | — | — | |
| SCHEMBL11874197 | 0.72 | TSHR (0.42) | — | |
| SCHEMBL9186276 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6063932-A | Process and intermediates for the preparation of oxazoline derivatives | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-05-16 | — | — | US | disclosed |
| CN-1237967-A | Processes and intermediates for preparation of oxazoline derivatives | DU PONT (US) | 1999-12-08 | — | — | CN | disclosed |
| EP-0938481-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OXAZOLINE DERIVATIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-09-01 | — | — | EP | disclosed |
| WO-1998022448-A1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OXAZOLINE DERIVATIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1998-05-28 | — | — | WO | disclosed |
| CN-86101573-A | The novel collector that is used for the mineral froth flotation | — | 1987-06-03 | — | — | CN | disclosed |