⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27779117 | 0.85 | NR1H4 (0.31) | — | |
| SCHEMBL8520393 | 0.81 | POLB (0.42) | — | |
| SCHEMBL7562925 | 0.77 | CYP4F2 (0.42) | — | |
| SCHEMBL3861970 | 0.74 | NFE2L2 (0.32) | — | |
| SCHEMBL336062 | 0.74 | NR1H4 (0.36) | — | |
| SCHEMBL3689361 | 0.67 | VCAM1 (0.35) | — | |
| SCHEMBL3856121 | 0.67 | NFE2L2 (0.43) | — | |
| SCHEMBL9368818 | 0.64 | AHR (0.37) | — | |
| SCHEMBL3855734 | 0.63 | NFE2L2 (0.33) | — | |
| SCHEMBL2447577 | 0.62 | ALOX5AP (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 |
|---|---|---|---|---|---|---|---|
| US-7589123-B2 | Chemical compounds | PHYTOPHARM PLC (GB) | 2009-09-15 | — | — | US | disclosed |
| US-20080045591-A1 | Chemical Compounds | VECTURA LIMITED (GB) | 2008-02-21 | — | — | US | disclosed |