⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7761898 | 0.83 | OPRM1 (0.48) | — | |
| SCHEMBL7766637 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL1507445 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL7764680 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL7765585 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL4035952 | 0.80 | — | — | |
| SCHEMBL7764720 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL1677972 | 0.80 | DNM1 (0.48) | — | |
| SCHEMBL7769144 | 0.80 | TSHR (0.50) | — | |
| SCHEMBL277124 | 0.78 | — | — |
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-20040152896-A1 | Process for the preparation of pyrrolidinyl ethylamine compounds via a copper-mediated aryl amination | CARON STEPHANE (US) | 2004-08-05 | — | — | US | disclosed |
| WO-2004039785-A1 | PROCESS FOR THE PREPARATION OF PYRROLIDINYL ETHYLAMINE COMPOUNDS VIA A COPPER-MEDIATED ARYL AMINATION | PFIZER PRODUCTS INC. (US) | 2004-05-13 | — | — | WO | disclosed |