⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL400906 | 0.71 | — | — | |
| SCHEMBL10456430 | 0.67 | — | — | |
| Fluoride SCHEMBL775786 | 0.67 | — | — | |
| SCHEMBL3980722 | 0.67 | — | — | |
| SCHEMBL30999502 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL11765545 | 0.64 | NOS1 (0.32) | — | |
| SCHEMBL5315595 | 0.64 | TSHR (0.33) | — | |
| SCHEMBL10172359 | 0.59 | — | — | |
| SCHEMBL257782 | 0.59 | — | — | |
| SCHEMBL8283201 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2593429-A1 | PROCESS FOR PREPARING A BIPHENYL-2-YLCARBAMIC ACID | Theravance, Inc. (US) | 2013-05-22 | — | — | EP | disclosed |
| WO-2012009166-A1 | PROCESS FOR PREPARING A BIPHENYL-2-YLCARBAMIC ACID | THERAVANCE, INC. (US) | 2012-01-19 | — | — | WO | disclosed |
| EP-2358674-A1 | Process for preparing 4-[2-(2-fluorophenoxymethyl)phenyl¨]iperidine compounds | Theravance, Inc. (US) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010056938-A1 | PROCESS FOR PREPARING 4-[2-(2-FLUOROPHENOXYMETHYL)PHENYL]PIPERIDINE COMPOUNDS | THERAVANCE, INC. (US) | 2010-05-20 | — | — | WO | disclosed |