⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8920824 | 0.83 | SLC40A1 (0.37) | — | |
| SCHEMBL8917377 | 0.82 | ALDH1A1 (0.36) | — | |
| SCHEMBL8916155 | 0.82 | HTR6 (0.36) | — | |
| SCHEMBL8917165 | 0.80 | CYP1A2 (0.31) | — | |
| SCHEMBL8917442 | 0.76 | PTGS2 (0.35) | — | |
| SCHEMBL8917762 | 0.75 | KAT6A (0.38) | — | |
| SCHEMBL8918176 | 0.73 | CCR3 (0.36) | — | |
| SCHEMBL8917696 | 0.73 | GAA (0.39) | — | |
| SCHEMBL8918039 | 0.72 | HSD17B1 (0.35) | — | |
| SCHEMBL8918357 | 0.72 | HPGD (0.37) | — |
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-5696143-A | ARTHRITIS THERAPY | G.D. SEARLE & CO. | 1997-12-09 | — | — | US | disclosed |