⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1535987 | 0.97 | ADH1A (0.58) | — | |
| SCHEMBL7536596 | 0.97 | ADH1A (0.58) | — | |
| SCHEMBL7533870 | 0.97 | ADH1A (0.58) | — | |
| SCHEMBL7534361 | 0.97 | ADH1A (0.58) | — | |
| SCHEMBL12890024 | 0.97 | — | — | |
| SCHEMBL12890023 | 0.88 | — | — | |
| SCHEMBL19500890 | 0.77 | ADH1C (0.33) | — | |
| SCHEMBL25645544 | 0.77 | PIK3CD (0.42) | — | |
| SCHEMBL26068579 | 0.75 | ADH1C (0.33) | — | |
| SCHEMBL14528650 | 0.75 | HTR2A (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7879839-B2 | For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |
| US-7790770-B2 | Heterocyclic CETP inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-09-07 | — | — | US | disclosed |
| US-20080090794-A1 | Potassium Channel Inhibitors | MERCK SHARP & DOHME LLC | 2008-04-17 | — | — | US | disclosed |
| US-20070135631-A1 | HETEROCYCLIC CETP INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-14 | — | — | US | disclosed |
| EP-1223161-A2 | Method to stabilise and/or lower the color number of alkenyl compounds | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-17 | — | — | EP | disclosed |
| US-20020091254-A1 | Stabilizing and/or lowering the color number of alkenyl compounds | BASF AKTIENGESELLSCHAFT (DE) | 2002-07-11 | — | — | US | disclosed |
| US-6384216-B1 | CARRYING OUT TWO DISTILLATIONS IN WHICH THE PURIFIED ALKENYL COMPOUNDS OBTAINED FROM GAS PHASE BY CONDENSATION, WHERE THE TIME BETWEEN FIRST DISTILLATION AFTER SYNTHESIS OF ALKENYL COMPOUNDS AND FURTHER DISTILLATION | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-07 | — | — | US | disclosed |
| US-20020038059-A1 | PURIFICATION OF ALKENYL COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-28 | — | — | US | disclosed |