⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6152550 | 0.85 | TDP1 (0.31) | — | |
| SCHEMBL6152317 | 0.84 | KDM4E (0.34) | — | |
| SCHEMBL6152588 | 0.80 | P2RX7 (0.32) | — | |
| SCHEMBL6152925 | 0.80 | L3MBTL1 (0.31) | — | |
| SCHEMBL6152831 | 0.78 | HRH1 (0.35) | — | |
| SCHEMBL7240668 | 0.74 | HRH1 (0.34) | — | |
| SCHEMBL7252522 | 0.73 | SLC16A3 (0.34) | — | |
| SCHEMBL6151955 | 0.72 | TBXA2R (0.37) | — | |
| SCHEMBL8535870 | 0.71 | KMT2A (0.35) | — | |
| SCHEMBL6153099 | 0.67 | CCR3 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1307449-B1 | 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS | PFIZER PHARMA (JP) | 2005-12-07 | — | — | EP | disclosed |
| US-6653313-B2 | For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders | WARNER-LAMBERT COMPANY LLC | 2003-11-25 | — | — | US | disclosed |