⚠ 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 | |
|---|---|---|---|---|
| Morpholine SCHEMBL11079726 | 0.90 | SLC6A4 (0.33) | — | |
| Morpholine SCHEMBL11096912 | 0.84 | DRD2 (0.33) | — | |
| Morpholine SCHEMBL11079137 | 0.79 | PSEN1 (0.32) | — | |
| Morpholine SCHEMBL11071033 | 0.76 | DRD2 (0.35) | — | |
| SCHEMBL11078201 | 0.73 | — | — | |
| SCHEMBL11074806 | 0.72 | — | — | |
| SCHEMBL11069810 | 0.72 | SLC6A4 (0.41) | — | |
| Morpholine SCHEMBL11075735 | 0.72 | SLC6A4 (0.40) | — | |
| Morpholine SCHEMBL11076338 | 0.72 | SLC6A4 (0.34) | — | |
| SCHEMBL11072305 | 0.72 | HSD11B1 (0.32) | — |
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-4447454-A | Analgetic compounds, compositions and process of treatment | THE UPJOHN COMPANY (US) | 1984-05-08 | — | — | US | disclosed |
| US-4113866-A | ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT | THE UPJOHN COMPANY (US) | 1978-09-12 | — | — | US | disclosed |