⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28487407 | 0.76 | — | — | |
| SCHEMBL20517774 | 0.72 | ALDH1A1 (0.34) | — | |
| SCHEMBL7880212 | 0.69 | KDM4E (0.35) | — | |
| SCHEMBL24876795 | 0.69 | CYP2A6 (0.41) | — | |
| SCHEMBL27194772 | 0.68 | CCR1 (0.38) | — | |
| SCHEMBL29953880 | 0.68 | CCR1 (0.36) | — | |
| SCHEMBL15141785 | 0.68 | LMNA (0.31) | — | |
| SCHEMBL539587 | 0.68 | CCR1 (0.36) | — | |
| SCHEMBL874915 | 0.67 | CCR1 (0.46) | — | |
| SCHEMBL29911780 | 0.67 | VRK1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9212135-B2 | Phenylthioacetate compounds, compositions and methods of use | ARDEA BIOSCIENCES, INC. (US) | 2015-12-15 | — | — | US | disclosed |
| US-20150322006-A1 | PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | ARDEA BIOSCIENCES, INC. | 2015-11-12 | — | — | US | disclosed |
| US-20130150381-A1 | PHENYLTHIOACETATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | ARDEA BIOSCIENCE, INC. (US) | 2013-06-13 | — | — | US | disclosed |