⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL573159 | 0.96 | — | — | |
| Dimethylamine SCHEMBL3528326 | 0.73 | — | — | |
| Chloromethane SCHEMBL4098077 | 0.71 | — | — | |
| SCHEMBL4884101 | 0.69 | — | — | |
| SCHEMBL245451 | 0.67 | — | — | |
| Ethane SCHEMBL10742901 | 0.67 | KDM4E (0.36) | — | |
| Methane SCHEMBL6686569 | 0.67 | — | — | |
| Methane SCHEMBL9047974 | 0.67 | — | — | |
| Methane SCHEMBL27127634 | 0.67 | CA2 (0.44) | — | |
| Methane SCHEMBL7587 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1937652-B1 | PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS | AVENTIS PHARMA INC (US) | 2014-07-30 | — | — | EP | disclosed |
| US-8202863-B2 | 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease | AVENTIS PHARMACEUTICALS INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-20080227782-A1 | PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS | AVENTIS PHARMACEUTICALS INC (US) | 2008-09-18 | — | — | US | disclosed |
| EP-1937652-A1 | PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS | Aventis Pharmaceuticals Inc. (US) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007041634-A1 | PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2007-04-12 | — | — | WO | disclosed |