⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12585293 | 0.72 | KCNA3 (0.54) | — | |
| SCHEMBL13461863 | 0.71 | DRD2 (0.48) | — | |
| SCHEMBL663821 | 0.70 | — | — | |
| SCHEMBL662564 | 0.68 | HRH3 (0.30) | — | |
| SCHEMBL18518472 | 0.67 | PDIA6 (0.36) | — | |
| SCHEMBL13624062 | 0.67 | KDM4E (0.49) | — | |
| SCHEMBL13634697 | 0.63 | HRH3 (0.38) | — | |
| SCHEMBL3281695 | 0.62 | GPBAR1 (0.45) | — | |
| SCHEMBL3275453 | 0.62 | KDM4E (0.38) | — | |
| SCHEMBL450323 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120046308-A1 | NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME | KOWA COMPANY, LTD. (JP) | 2012-02-23 | — | — | US | disclosed |